Info: NAMD 2.5b2pre1 for Linux-i686-Clustermatic Info: Info: Please visit http://www.ks.uiuc.edu/Research/namd/ Info: and send feedback or bug reports to namd@ks.uiuc.edu Info: Info: Please cite Kale et al., J. Comp. Phys. 151:283-312 (1999) Info: in all publications reporting results obtained with NAMD. Info: Info: Built Wed Jul 2 11:32:57 CDT 2003 by jphillip on hn04 Info: Sending usage information to NAMD developers via UDP. Info: Sent data is: 1 NAMD 2.5b2pre1 Linux-i686-Clustermatic 48 umbriel villa Info: Running on 48 processors. Info: 6588 kB of memory in use. Measuring processor speeds... Done. Info: Configuration file is ubq-get-energy.namd TCL: Suspending until startup complete. Info: SIMULATION PARAMETERS: Info: TIMESTEP 2 Info: NUMBER OF STEPS 0 Info: STEPS PER CYCLE 10 Info: LOAD BALANCE STRATEGY Other Info: LDB PERIOD 2000 steps Info: FIRST LDB TIMESTEP 50 Info: LDB BACKGROUND SCALING 1 Info: HOM BACKGROUND SCALING 1 Info: MAX SELF PARTITIONS 50 Info: MAX PAIR PARTITIONS 20 Info: SELF PARTITION ATOMS 125 Info: PAIR PARTITION ATOMS 200 Info: PAIR2 PARTITION ATOMS 400 Info: INITIAL TEMPERATURE 310 Info: CENTER OF MASS MOVING? NO Info: DIELECTRIC 1 Info: EXCLUDE SCALED ONE-FOUR Info: 1-4 SCALE FACTOR 1 Info: NO DCD TRAJECTORY OUTPUT Info: NO EXTENDED SYSTEM TRAJECTORY OUTPUT Info: NO VELOCITY DCD OUTPUT Info: OUTPUT FILENAME ubq-get-energy Info: BINARY OUTPUT FILES WILL BE USED Info: NO RESTART FILE Info: SWITCHING ACTIVE Info: SWITCHING ON 10 Info: SWITCHING OFF 12 Info: PAIRLIST DISTANCE 13.5 Info: PAIRLIST SHRINK RATE 0.01 Info: PAIRLIST GROW RATE 0.01 Info: PAIRLIST TRIGGER 0.3 Info: PAIRLISTS PER CYCLE 2 Info: PAIRLISTS ENABLED Info: MARGIN 0 Info: HYDROGEN GROUP CUTOFF 2.5 Info: PATCH DIMENSION 16 Info: PRESSURE OUTPUT STEPS 1 Info: USING VERLET I (r-RESPA) MTS SCHEME. Info: C1 SPLITTING OF LONG RANGE ELECTROSTATICS Info: PLACING ATOMS IN PATCHES BY HYDROGEN GROUPS Info: RIGID BONDS TO HYDROGEN : ALL Info: ERROR TOLERANCE : 1e-08 Info: MAX ITERATIONS : 100 Info: RIGID WATER USING SETTLE ALGORITHM Info: RANDOM NUMBER SEED 1057257168 Info: USE HYDROGEN BONDS? NO Info: COORDINATE PDB ../common/ubq.pdb Info: STRUCTURE FILE ../common/ubq.psf Info: PARAMETER file: CHARMM format! Info: PARAMETERS ../common/par_all27_prot_lipid.inp Info: SUMMARY OF PARAMETERS: Info: 179 BONDS Info: 441 ANGLES Info: 534 DIHEDRAL Info: 49 IMPROPER Info: 89 VDW Info: 0 VDW_PAIRS Info: **************************** Info: STRUCTURE SUMMARY: Info: 1231 ATOMS Info: 1237 BONDS Info: 2257 ANGLES Info: 3293 DIHEDRALS Info: 204 IMPROPERS Info: 0 EXCLUSIONS Info: 629 RIGID BONDS Info: 3061 DEGREES OF FREEDOM Info: 602 HYDROGEN GROUPS Info: TOTAL MASS = 8564.87 amu Info: TOTAL CHARGE = 1.00955e-06 e Info: ***************************** Info: Entering startup phase 0 with 6588 kB of memory in use. Info: Entering startup phase 1 with 6588 kB of memory in use. Info: Entering startup phase 2 with 6588 kB of memory in use. Info: Entering startup phase 3 with 6588 kB of memory in use. Info: PATCH GRID IS 2 BY 2 BY 2 Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 Info: LARGEST PATCH (0) HAS 214 ATOMS Info: Entering startup phase 4 with 6588 kB of memory in use. Info: Entering startup phase 5 with 6588 kB of memory in use. Info: Entering startup phase 6 with 6588 kB of memory in use. Info: Entering startup phase 7 with 6588 kB of memory in use. Info: COULOMB TABLE R-SQUARED SPACING: 0.0625 Info: COULOMB TABLE SIZE: 769 POINTS Info: NONZERO IMPRECISION IN COULOMB TABLE: 3.38813e-21 (713) 0 (0) Info: NONZERO IMPRECISION IN COULOMB TABLE: 1.26218e-29 (742) 1.57772e-29 (742) Info: NONZERO IMPRECISION IN COULOMB TABLE: 1.27055e-21 (767) 1.48231e-21 (767) Info: Entering startup phase 8 with 6588 kB of memory in use. Info: Finished startup with 6588 kB of memory in use. Info: Coordinate file ubq-nvt-prot.dcd opened for reading. Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50 TCL: Running for 0 steps PRESSURE: 50 0 0 0 0 0 0 0 0 0 GPRESSURE: 50 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50 254.1995 731.5513 368.6277 38.0801 -1806.4294 -278.9655 0.0000 0.0000 965.9446 273.0084 317.5991 285.0197 285.0197 317.5991 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 100 TCL: Running for 0 steps PRESSURE: 100 0 0 0 0 0 0 0 0 0 GPRESSURE: 100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 100 251.2594 703.5017 381.9498 45.7508 -1811.2445 -278.6630 0.0000 0.0000 955.4346 247.9887 314.1435 259.8567 260.3941 314.1435 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 150 TCL: Running for 0 steps PRESSURE: 150 0 0 0 0 0 0 0 0 0 GPRESSURE: 150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 150 246.0778 690.4773 377.2100 44.3870 -1780.3138 -304.4063 0.0000 0.0000 965.2014 238.6334 317.3547 249.9665 252.4764 317.3547 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 200 TCL: Running for 0 steps PRESSURE: 200 0 0 0 0 0 0 0 0 0 GPRESSURE: 200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 200 225.8819 691.0624 380.1223 42.4893 -1758.9520 -301.1550 0.0000 0.0000 967.5205 246.9694 318.1172 258.0515 261.3455 318.1172 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 250 TCL: Running for 0 steps PRESSURE: 250 0 0 0 0 0 0 0 0 0 GPRESSURE: 250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 250 227.1257 703.7029 383.2091 38.1464 -1804.3537 -275.0807 0.0000 0.0000 953.0899 225.8396 313.3725 237.0325 239.7052 313.3725 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 300 TCL: Running for 0 steps PRESSURE: 300 0 0 0 0 0 0 0 0 0 GPRESSURE: 300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 300 250.9138 676.7799 389.7202 39.9969 -1770.3777 -276.7894 0.0000 0.0000 961.1997 271.4434 316.0390 282.8038 284.6815 316.0390 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 350 TCL: Running for 0 steps PRESSURE: 350 0 0 0 0 0 0 0 0 0 GPRESSURE: 350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 350 245.6783 690.9300 376.0174 47.4427 -1773.1027 -266.0011 0.0000 0.0000 965.0243 285.9888 317.2965 297.9303 297.5117 317.2965 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 400 TCL: Running for 0 steps PRESSURE: 400 0 0 0 0 0 0 0 0 0 GPRESSURE: 400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 400 206.4640 714.0085 393.3310 37.7463 -1770.4686 -299.8435 0.0000 0.0000 963.3199 244.5576 316.7361 255.6725 258.3797 316.7361 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 450 TCL: Running for 0 steps PRESSURE: 450 0 0 0 0 0 0 0 0 0 GPRESSURE: 450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 450 238.1813 678.8619 392.6770 34.2919 -1766.8012 -303.2616 0.0000 0.0000 961.0464 234.9958 315.9886 246.1819 248.4526 315.9886 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 500 TCL: Running for 0 steps PRESSURE: 500 0 0 0 0 0 0 0 0 0 GPRESSURE: 500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 500 236.6930 692.8209 385.8531 40.4374 -1752.7694 -306.0176 0.0000 0.0000 966.3178 263.3352 317.7218 274.6911 276.1831 317.7218 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 550 TCL: Running for 0 steps PRESSURE: 550 0 0 0 0 0 0 0 0 0 GPRESSURE: 550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 550 230.9289 706.3466 398.0832 39.3793 -1768.4669 -284.1526 0.0000 0.0000 965.4752 287.5937 317.4448 299.4428 298.9922 317.4448 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 600 TCL: Running for 0 steps PRESSURE: 600 0 0 0 0 0 0 0 0 0 GPRESSURE: 600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 600 205.1294 739.4645 369.4276 40.1232 -1782.5833 -273.4217 0.0000 0.0000 963.2188 261.3586 316.7029 273.4836 272.0267 316.7029 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 650 TCL: Running for 0 steps PRESSURE: 650 0 0 0 0 0 0 0 0 0 GPRESSURE: 650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 650 228.4771 687.0470 382.6846 36.4457 -1769.5996 -273.4543 0.0000 0.0000 962.4615 254.0621 316.4539 265.7561 266.0062 316.4539 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 700 TCL: Running for 0 steps PRESSURE: 700 0 0 0 0 0 0 0 0 0 GPRESSURE: 700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 700 232.2014 713.9698 391.3092 39.4868 -1778.1845 -293.9769 0.0000 0.0000 962.9512 267.7570 316.6149 279.6221 279.2152 316.6149 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 750 TCL: Running for 0 steps PRESSURE: 750 0 0 0 0 0 0 0 0 0 GPRESSURE: 750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 750 225.0838 718.0561 388.1443 44.1099 -1780.8812 -291.0335 0.0000 0.0000 959.4406 262.9200 315.4606 274.1468 276.1588 315.4606 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 800 TCL: Running for 0 steps PRESSURE: 800 0 0 0 0 0 0 0 0 0 GPRESSURE: 800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 800 252.5470 733.1605 394.9712 39.1731 -1769.5673 -290.4082 0.0000 0.0000 958.9845 318.8608 315.3106 331.0041 329.4535 315.3106 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 850 TCL: Running for 0 steps PRESSURE: 850 0 0 0 0 0 0 0 0 0 GPRESSURE: 850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 850 229.0122 720.8946 383.2593 37.1875 -1743.7777 -289.2537 0.0000 0.0000 959.7859 297.1082 315.5742 308.6447 309.4665 315.5742 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 900 TCL: Running for 0 steps PRESSURE: 900 0 0 0 0 0 0 0 0 0 GPRESSURE: 900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 900 243.4515 733.8258 385.5205 44.5330 -1726.4917 -277.1246 0.0000 0.0000 966.4797 370.1942 317.7750 382.5399 380.2761 317.7750 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 950 TCL: Running for 0 steps PRESSURE: 950 0 0 0 0 0 0 0 0 0 GPRESSURE: 950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 950 247.0883 683.8656 381.2739 41.2862 -1774.9142 -289.6951 0.0000 0.0000 961.6427 250.5475 316.1847 262.1013 262.9487 316.1847 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1000 TCL: Running for 0 steps PRESSURE: 1000 0 0 0 0 0 0 0 0 0 GPRESSURE: 1000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1000 244.6953 707.1205 376.4232 37.7517 -1753.5443 -301.4323 0.0000 0.0000 958.0438 269.0578 315.0013 280.7545 281.0128 315.0013 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1050 TCL: Running for 0 steps PRESSURE: 1050 0 0 0 0 0 0 0 0 0 GPRESSURE: 1050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1050 244.6659 704.0812 391.0887 44.9926 -1776.6205 -290.5599 0.0000 0.0000 960.0117 277.6597 315.6484 289.3449 289.6303 315.6484 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1100 TCL: Running for 0 steps PRESSURE: 1100 0 0 0 0 0 0 0 0 0 GPRESSURE: 1100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1100 235.1629 660.0486 389.1655 40.0345 -1727.4053 -275.3867 0.0000 0.0000 966.6131 288.2326 317.8189 299.6728 300.8592 317.8189 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1150 TCL: Running for 0 steps PRESSURE: 1150 0 0 0 0 0 0 0 0 0 GPRESSURE: 1150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1150 242.6315 691.9313 387.3521 48.9114 -1752.5932 -300.1753 0.0000 0.0000 962.7354 280.7932 316.5439 292.5648 292.4340 316.5439 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1200 TCL: Running for 0 steps PRESSURE: 1200 0 0 0 0 0 0 0 0 0 GPRESSURE: 1200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1200 214.7454 660.3635 387.3573 51.9677 -1743.7991 -267.1436 0.0000 0.0000 960.3268 263.8180 315.7520 274.9762 277.1538 315.7520 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1250 TCL: Running for 0 steps PRESSURE: 1250 0 0 0 0 0 0 0 0 0 GPRESSURE: 1250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1250 249.6802 669.6194 390.3482 36.8728 -1737.1160 -294.9216 0.0000 0.0000 962.6824 277.1654 316.5265 287.9454 291.4051 316.5265 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1300 TCL: Running for 0 steps PRESSURE: 1300 0 0 0 0 0 0 0 0 0 GPRESSURE: 1300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1300 233.0483 690.7634 390.5687 39.2322 -1741.5098 -275.6145 0.0000 0.0000 959.2481 295.7364 315.3973 307.2474 307.7497 315.3973 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1350 TCL: Running for 0 steps PRESSURE: 1350 0 0 0 0 0 0 0 0 0 GPRESSURE: 1350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1350 238.0028 692.8263 401.8587 37.8605 -1743.7391 -297.6590 0.0000 0.0000 967.5381 296.6883 318.1230 308.2845 308.4359 318.1230 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1400 TCL: Running for 0 steps PRESSURE: 1400 0 0 0 0 0 0 0 0 0 GPRESSURE: 1400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1400 220.6278 687.9565 403.7959 39.0455 -1765.4659 -275.5141 0.0000 0.0000 969.8202 280.2659 318.8734 292.0856 291.3896 318.8734 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1450 TCL: Running for 0 steps PRESSURE: 1450 0 0 0 0 0 0 0 0 0 GPRESSURE: 1450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1450 209.5035 700.9016 390.0092 39.7574 -1729.2976 -289.5316 0.0000 0.0000 966.1120 287.4546 317.6542 299.1669 298.9169 317.6542 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1500 TCL: Running for 0 steps PRESSURE: 1500 0 0 0 0 0 0 0 0 0 GPRESSURE: 1500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1500 247.2005 677.7469 379.0804 41.6675 -1750.5996 -284.6072 0.0000 0.0000 963.4208 273.9093 316.7693 285.8278 284.8204 316.7693 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1550 TCL: Running for 0 steps PRESSURE: 1550 0 0 0 0 0 0 0 0 0 GPRESSURE: 1550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1550 249.9330 699.1282 389.9946 35.6088 -1758.3153 -301.6991 0.0000 0.0000 965.5406 280.1908 317.4663 292.1566 291.0348 317.4663 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1600 TCL: Running for 0 steps PRESSURE: 1600 0 0 0 0 0 0 0 0 0 GPRESSURE: 1600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1600 238.1619 706.2452 392.5202 37.7947 -1756.2275 -288.8380 0.0000 0.0000 965.5558 295.2122 317.4713 307.2956 305.8030 317.4713 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1650 TCL: Running for 0 steps PRESSURE: 1650 0 0 0 0 0 0 0 0 0 GPRESSURE: 1650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1650 242.7681 705.0096 411.8805 40.6990 -1757.8563 -302.1695 0.0000 0.0000 964.6875 305.0189 317.1858 317.2585 315.2733 317.1858 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1700 TCL: Running for 0 steps PRESSURE: 1700 0 0 0 0 0 0 0 0 0 GPRESSURE: 1700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1700 235.9032 675.4774 390.4614 35.3682 -1735.6904 -286.5386 0.0000 0.0000 965.7851 280.7662 317.5467 292.4493 292.6752 317.5467 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1750 TCL: Running for 0 steps PRESSURE: 1750 0 0 0 0 0 0 0 0 0 GPRESSURE: 1750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1750 259.7115 692.5123 377.9373 46.6410 -1756.2921 -307.6603 0.0000 0.0000 965.3288 278.1785 317.3966 290.4928 288.3374 317.3966 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1800 TCL: Running for 0 steps PRESSURE: 1800 0 0 0 0 0 0 0 0 0 GPRESSURE: 1800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1800 238.6806 689.2990 390.2574 42.9007 -1751.2991 -304.4413 0.0000 0.0000 958.4205 263.8177 315.1252 275.6224 275.5126 315.1252 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1850 TCL: Running for 0 steps PRESSURE: 1850 0 0 0 0 0 0 0 0 0 GPRESSURE: 1850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1850 244.9697 707.3077 365.3876 36.2565 -1787.4036 -260.4563 0.0000 0.0000 960.5138 266.5755 315.8135 278.5364 277.8478 315.8135 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1900 TCL: Running for 0 steps PRESSURE: 1900 0 0 0 0 0 0 0 0 0 GPRESSURE: 1900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1900 227.3858 688.2204 382.4881 41.6475 -1783.4869 -262.7486 0.0000 0.0000 961.0468 254.5530 315.9887 265.9688 267.3673 315.9887 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 1950 TCL: Running for 0 steps PRESSURE: 1950 0 0 0 0 0 0 0 0 0 GPRESSURE: 1950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 1950 239.5969 714.4205 386.0183 47.0607 -1787.2314 -268.2326 0.0000 0.0000 963.7210 295.3536 316.8680 307.6944 305.5368 316.8680 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2000 TCL: Running for 0 steps PRESSURE: 2000 0 0 0 0 0 0 0 0 0 GPRESSURE: 2000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2000 248.7548 700.8300 388.2248 45.1224 -1785.3324 -278.3537 0.0000 0.0000 965.2616 284.5076 317.3745 296.4559 295.9052 317.3745 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2050 TCL: Running for 0 steps PRESSURE: 2050 0 0 0 0 0 0 0 0 0 GPRESSURE: 2050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2050 247.4091 688.4568 387.6992 36.6147 -1779.0473 -257.6298 0.0000 0.0000 965.7377 289.2404 317.5311 301.1340 300.8228 317.5311 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2100 TCL: Running for 0 steps PRESSURE: 2100 0 0 0 0 0 0 0 0 0 GPRESSURE: 2100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2100 238.0559 715.1326 384.5702 34.7552 -1797.5595 -286.4493 0.0000 0.0000 964.3363 252.8413 317.0703 264.3203 265.5835 317.0703 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2150 TCL: Running for 0 steps PRESSURE: 2150 0 0 0 0 0 0 0 0 0 GPRESSURE: 2150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2150 231.8822 746.8231 394.1071 42.6707 -1783.3026 -300.9482 0.0000 0.0000 964.7384 295.9707 317.2025 308.0428 307.0029 317.2025 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2200 TCL: Running for 0 steps PRESSURE: 2200 0 0 0 0 0 0 0 0 0 GPRESSURE: 2200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2200 238.9681 719.5702 397.4994 35.6877 -1763.3994 -290.5445 0.0000 0.0000 965.3515 303.1330 317.4041 314.9539 314.9208 317.4041 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2250 TCL: Running for 0 steps PRESSURE: 2250 0 0 0 0 0 0 0 0 0 GPRESSURE: 2250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2250 231.9639 714.5903 393.8749 52.2889 -1752.7393 -296.8088 0.0000 0.0000 959.5314 302.7014 315.4905 314.7183 313.9522 315.4905 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2300 TCL: Running for 0 steps PRESSURE: 2300 0 0 0 0 0 0 0 0 0 GPRESSURE: 2300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2300 232.5690 717.9510 391.6342 45.4053 -1752.2368 -278.0991 0.0000 0.0000 959.3126 316.5362 315.4185 328.5548 327.8301 315.4185 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2350 TCL: Running for 0 steps PRESSURE: 2350 0 0 0 0 0 0 0 0 0 GPRESSURE: 2350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2350 230.4332 716.8375 380.8306 39.7773 -1757.4168 -282.4928 0.0000 0.0000 958.0109 285.9798 314.9905 297.7966 297.8742 314.9905 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2400 TCL: Running for 0 steps PRESSURE: 2400 0 0 0 0 0 0 0 0 0 GPRESSURE: 2400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2400 239.3830 762.6225 390.1547 46.5989 -1798.0982 -291.6205 0.0000 0.0000 958.2858 307.3261 315.0809 319.2775 318.8451 315.0809 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2450 TCL: Running for 0 steps PRESSURE: 2450 0 0 0 0 0 0 0 0 0 GPRESSURE: 2450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2450 248.0714 702.6027 384.7135 37.5329 -1750.0684 -307.2064 0.0000 0.0000 954.6277 270.2734 313.8782 281.9591 282.5505 313.8782 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2500 TCL: Running for 0 steps PRESSURE: 2500 0 0 0 0 0 0 0 0 0 GPRESSURE: 2500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2500 232.4575 759.0595 391.0416 47.1976 -1761.3045 -307.7120 0.0000 0.0000 957.7209 318.4606 314.8952 330.4609 329.8353 314.8952 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2550 TCL: Running for 0 steps PRESSURE: 2550 0 0 0 0 0 0 0 0 0 GPRESSURE: 2550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2550 254.1370 686.4160 391.3418 37.8927 -1761.3981 -296.3651 0.0000 0.0000 958.0118 270.0362 314.9908 282.0556 281.3975 314.9908 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2600 TCL: Running for 0 steps PRESSURE: 2600 0 0 0 0 0 0 0 0 0 GPRESSURE: 2600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2600 247.5338 718.0430 379.5911 39.6565 -1734.5489 -292.6817 0.0000 0.0000 958.3607 315.9545 315.1056 328.2823 326.5091 315.1056 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2650 TCL: Running for 0 steps PRESSURE: 2650 0 0 0 0 0 0 0 0 0 GPRESSURE: 2650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2650 247.4178 677.7915 391.3038 35.4699 -1745.2750 -285.3580 0.0000 0.0000 959.3332 280.6833 315.4253 292.5902 292.5059 315.4253 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2700 TCL: Running for 0 steps PRESSURE: 2700 0 0 0 0 0 0 0 0 0 GPRESSURE: 2700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2700 212.4986 710.7724 376.3671 39.5389 -1767.8205 -307.0146 0.0000 0.0000 956.4173 220.7590 314.4666 231.9762 234.4838 314.4666 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2750 TCL: Running for 0 steps PRESSURE: 2750 0 0 0 0 0 0 0 0 0 GPRESSURE: 2750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2750 212.9430 768.3747 377.2001 36.7642 -1775.9207 -286.4933 0.0000 0.0000 959.1999 292.0678 315.3815 304.2687 302.9307 315.3815 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2800 TCL: Running for 0 steps PRESSURE: 2800 0 0 0 0 0 0 0 0 0 GPRESSURE: 2800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2800 257.5346 694.4077 372.3937 41.4478 -1769.3279 -272.1498 0.0000 0.0000 960.7299 285.0361 315.8845 296.7206 297.4028 315.8845 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2850 TCL: Running for 0 steps PRESSURE: 2850 0 0 0 0 0 0 0 0 0 GPRESSURE: 2850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2850 237.5935 674.5576 374.1437 31.3722 -1736.3080 -276.0909 0.0000 0.0000 961.1750 266.4431 316.0309 278.0231 279.0546 316.0309 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2900 TCL: Running for 0 steps PRESSURE: 2900 0 0 0 0 0 0 0 0 0 GPRESSURE: 2900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2900 230.1318 723.5589 390.7310 39.9344 -1776.6382 -280.4204 0.0000 0.0000 959.0200 286.3176 315.3223 298.1783 298.0926 315.3223 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 2950 TCL: Running for 0 steps PRESSURE: 2950 0 0 0 0 0 0 0 0 0 GPRESSURE: 2950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 2950 202.0472 723.8860 379.6002 34.9104 -1767.0647 -287.5683 0.0000 0.0000 963.0771 248.8880 316.6563 260.1956 262.1893 316.6563 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3000 TCL: Running for 0 steps PRESSURE: 3000 0 0 0 0 0 0 0 0 0 GPRESSURE: 3000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3000 249.1631 711.2586 366.8455 40.7602 -1804.3821 -281.2506 0.0000 0.0000 959.1338 241.5285 315.3598 253.4725 252.9551 315.3598 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3050 TCL: Running for 0 steps PRESSURE: 3050 0 0 0 0 0 0 0 0 0 GPRESSURE: 3050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3050 229.6953 683.4033 400.7548 46.9660 -1754.7765 -306.9437 0.0000 0.0000 961.4645 260.5638 316.1261 272.0348 273.3235 316.1261 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3100 TCL: Running for 0 steps PRESSURE: 3100 0 0 0 0 0 0 0 0 0 GPRESSURE: 3100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3100 233.1154 707.1079 373.9271 41.9370 -1730.1057 -299.2082 0.0000 0.0000 962.5672 289.3408 316.4886 301.4953 300.1403 316.4886 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3150 TCL: Running for 0 steps PRESSURE: 3150 0 0 0 0 0 0 0 0 0 GPRESSURE: 3150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3150 235.3166 695.2698 382.1874 39.8210 -1768.6534 -281.7833 0.0000 0.0000 962.7890 264.9472 316.5616 276.6268 277.1372 316.5616 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3200 TCL: Running for 0 steps PRESSURE: 3200 0 0 0 0 0 0 0 0 0 GPRESSURE: 3200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3200 217.8085 699.9260 372.4315 52.3196 -1723.1179 -301.8709 0.0000 0.0000 962.5059 280.0027 316.4685 291.4213 292.8789 316.4685 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3250 TCL: Running for 0 steps PRESSURE: 3250 0 0 0 0 0 0 0 0 0 GPRESSURE: 3250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3250 244.8280 699.6835 372.8962 42.6418 -1713.7695 -294.4318 0.0000 0.0000 960.8978 312.7460 315.9397 324.6253 324.2640 315.9397 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3300 TCL: Running for 0 steps PRESSURE: 3300 0 0 0 0 0 0 0 0 0 GPRESSURE: 3300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3300 228.4625 708.4948 367.6135 42.8884 -1725.7746 -287.2424 0.0000 0.0000 956.9433 291.3856 314.6395 303.3401 302.7193 314.6395 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3350 TCL: Running for 0 steps PRESSURE: 3350 0 0 0 0 0 0 0 0 0 GPRESSURE: 3350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3350 249.1372 708.6019 382.9201 42.9600 -1737.8611 -283.4320 0.0000 0.0000 962.5725 324.8985 316.4904 337.1927 335.3369 316.4904 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3400 TCL: Running for 0 steps PRESSURE: 3400 0 0 0 0 0 0 0 0 0 GPRESSURE: 3400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3400 240.7525 751.1594 373.9748 36.8597 -1727.9184 -316.1952 0.0000 0.0000 965.9980 324.6307 317.6167 337.3667 333.9703 317.6167 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3450 TCL: Running for 0 steps PRESSURE: 3450 0 0 0 0 0 0 0 0 0 GPRESSURE: 3450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3450 235.9938 717.1494 371.4807 44.9826 -1742.4035 -278.7515 0.0000 0.0000 965.8251 314.2766 317.5598 326.5352 325.1412 317.5598 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3500 TCL: Running for 0 steps PRESSURE: 3500 0 0 0 0 0 0 0 0 0 GPRESSURE: 3500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3500 230.3945 739.3021 387.3221 41.9526 -1731.6813 -288.5523 0.0000 0.0000 962.0407 340.7783 316.3155 353.7405 349.7952 316.3155 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3550 TCL: Running for 0 steps PRESSURE: 3550 0 0 0 0 0 0 0 0 0 GPRESSURE: 3550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3550 243.9695 712.4345 389.9180 35.8285 -1773.1542 -289.9622 0.0000 0.0000 960.3657 279.3997 315.7648 291.6414 290.6445 315.7648 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3600 TCL: Running for 0 steps PRESSURE: 3600 0 0 0 0 0 0 0 0 0 GPRESSURE: 3600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3600 239.0334 729.3288 389.8340 36.2090 -1774.6310 -274.2165 0.0000 0.0000 964.1842 309.7418 317.0203 322.3119 320.1459 317.0203 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3650 TCL: Running for 0 steps PRESSURE: 3650 0 0 0 0 0 0 0 0 0 GPRESSURE: 3650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3650 256.4435 715.0267 395.0867 42.2267 -1770.4552 -297.0022 0.0000 0.0000 964.1882 305.5145 317.0216 318.0428 316.1688 317.0216 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3700 TCL: Running for 0 steps PRESSURE: 3700 0 0 0 0 0 0 0 0 0 GPRESSURE: 3700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3700 257.7089 732.5582 385.2342 44.0732 -1807.2945 -266.3022 0.0000 0.0000 968.9817 314.9595 318.5977 327.7408 325.0350 318.5977 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3750 TCL: Running for 0 steps PRESSURE: 3750 0 0 0 0 0 0 0 0 0 GPRESSURE: 3750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3750 235.4305 699.1833 385.3075 39.4049 -1763.6483 -282.3620 0.0000 0.0000 964.5322 277.8480 317.1347 290.2118 289.2407 317.1347 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3800 TCL: Running for 0 steps PRESSURE: 3800 0 0 0 0 0 0 0 0 0 GPRESSURE: 3800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3800 255.4316 709.0855 394.4299 40.9549 -1799.3686 -281.0978 0.0000 0.0000 958.5430 277.9785 315.1655 290.1380 289.9937 315.1655 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3850 TCL: Running for 0 steps PRESSURE: 3850 0 0 0 0 0 0 0 0 0 GPRESSURE: 3850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3850 240.6427 735.3114 381.4201 43.1008 -1744.3563 -308.1003 0.0000 0.0000 961.2754 309.2937 316.0639 321.7603 320.4735 316.0639 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3900 TCL: Running for 0 steps PRESSURE: 3900 0 0 0 0 0 0 0 0 0 GPRESSURE: 3900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3900 229.2709 716.3009 374.2200 39.1074 -1801.3334 -255.1124 0.0000 0.0000 963.2692 265.7226 316.7195 278.2054 276.9381 316.7195 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 3950 TCL: Running for 0 steps PRESSURE: 3950 0 0 0 0 0 0 0 0 0 GPRESSURE: 3950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 3950 222.9417 719.6392 393.9767 42.3943 -1795.6376 -273.8058 0.0000 0.0000 965.6064 275.1149 317.4879 287.6788 286.1866 317.4879 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4000 TCL: Running for 0 steps PRESSURE: 4000 0 0 0 0 0 0 0 0 0 GPRESSURE: 4000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4000 251.4744 723.3938 401.2722 38.8832 -1813.5806 -283.2611 0.0000 0.0000 962.1008 280.2826 316.3353 292.9117 291.2684 316.3353 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4050 TCL: Running for 0 steps PRESSURE: 4050 0 0 0 0 0 0 0 0 0 GPRESSURE: 4050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4050 220.8735 703.0167 385.6055 43.2838 -1790.0145 -276.1620 0.0000 0.0000 963.0034 249.6065 316.6321 261.3589 263.1058 316.6321 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4100 TCL: Running for 0 steps PRESSURE: 4100 0 0 0 0 0 0 0 0 0 GPRESSURE: 4100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4100 225.3153 721.1974 403.5267 47.3144 -1808.6820 -292.4143 0.0000 0.0000 958.3979 254.6554 315.1178 266.6369 267.4159 315.1178 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4150 TCL: Running for 0 steps PRESSURE: 4150 0 0 0 0 0 0 0 0 0 GPRESSURE: 4150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4150 231.5264 682.5444 381.9885 38.4778 -1748.9708 -284.3461 0.0000 0.0000 963.1091 264.3293 316.6668 276.4889 276.5512 316.6668 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4200 TCL: Running for 0 steps PRESSURE: 4200 0 0 0 0 0 0 0 0 0 GPRESSURE: 4200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4200 245.9628 699.7755 376.1944 36.7108 -1788.0506 -282.5378 0.0000 0.0000 956.1193 244.1744 314.3686 256.1968 256.7696 314.3686 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4250 TCL: Running for 0 steps PRESSURE: 4250 0 0 0 0 0 0 0 0 0 GPRESSURE: 4250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4250 245.4311 726.7035 377.4603 40.3058 -1812.2907 -271.6405 0.0000 0.0000 956.5796 262.5489 314.5199 274.5273 275.2295 314.5199 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4300 TCL: Running for 0 steps PRESSURE: 4300 0 0 0 0 0 0 0 0 0 GPRESSURE: 4300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4300 248.1863 735.2119 374.4567 41.8366 -1774.6025 -296.0637 0.0000 0.0000 961.8314 290.8567 316.2467 302.8449 303.4664 316.2467 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4350 TCL: Running for 0 steps PRESSURE: 4350 0 0 0 0 0 0 0 0 0 GPRESSURE: 4350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4350 250.9178 710.7635 378.8098 36.7040 -1769.5512 -299.1469 0.0000 0.0000 959.4558 267.9528 315.4656 279.7289 281.1071 315.4656 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4400 TCL: Running for 0 steps PRESSURE: 4400 0 0 0 0 0 0 0 0 0 GPRESSURE: 4400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4400 226.4406 735.6564 389.3911 41.7671 -1755.3970 -309.5498 0.0000 0.0000 966.6591 294.9675 317.8340 306.9086 307.5817 317.8340 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4450 TCL: Running for 0 steps PRESSURE: 4450 0 0 0 0 0 0 0 0 0 GPRESSURE: 4450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4450 215.6681 712.3906 382.8795 50.0668 -1750.8543 -311.1856 0.0000 0.0000 958.2905 257.2556 315.0825 269.0219 270.3084 315.0825 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4500 TCL: Running for 0 steps PRESSURE: 4500 0 0 0 0 0 0 0 0 0 GPRESSURE: 4500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4500 250.8577 713.3470 383.1156 39.9913 -1767.7243 -292.2288 0.0000 0.0000 967.6747 295.0332 318.1680 307.1268 307.1057 318.1680 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4550 TCL: Running for 0 steps PRESSURE: 4550 0 0 0 0 0 0 0 0 0 GPRESSURE: 4550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4550 232.9204 695.6352 380.0222 47.5880 -1737.1913 -301.2872 0.0000 0.0000 961.2701 278.9574 316.0621 290.9156 291.4034 316.0621 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4600 TCL: Running for 0 steps PRESSURE: 4600 0 0 0 0 0 0 0 0 0 GPRESSURE: 4600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4600 228.8172 702.9491 378.2588 41.9913 -1757.2989 -289.2720 0.0000 0.0000 964.0035 269.4490 316.9609 281.2941 282.1755 316.9609 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4650 TCL: Running for 0 steps PRESSURE: 4650 0 0 0 0 0 0 0 0 0 GPRESSURE: 4650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4650 231.8771 705.5547 372.0682 44.3231 -1762.0946 -274.7991 0.0000 0.0000 970.1171 287.0464 318.9710 299.4985 298.0488 318.9710 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4700 TCL: Running for 0 steps PRESSURE: 4700 0 0 0 0 0 0 0 0 0 GPRESSURE: 4700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4700 236.5823 738.2720 378.6423 42.5376 -1812.7155 -273.8657 0.0000 0.0000 956.2682 265.7211 314.4175 277.8808 277.6181 314.4175 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4750 TCL: Running for 0 steps PRESSURE: 4750 0 0 0 0 0 0 0 0 0 GPRESSURE: 4750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4750 237.7022 704.3339 373.8784 44.5837 -1752.6714 -300.1027 0.0000 0.0000 960.7174 268.4415 315.8804 280.6018 280.3532 315.8804 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4800 TCL: Running for 0 steps PRESSURE: 4800 0 0 0 0 0 0 0 0 0 GPRESSURE: 4800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4800 247.2908 689.6272 379.5187 44.9517 -1786.3035 -302.5762 0.0000 0.0000 965.5527 238.0613 317.4702 249.7822 251.1969 317.4702 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4850 TCL: Running for 0 steps PRESSURE: 4850 0 0 0 0 0 0 0 0 0 GPRESSURE: 4850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4850 240.3997 670.5994 384.8734 43.4403 -1780.2528 -275.9997 0.0000 0.0000 965.7851 248.8455 317.5467 260.2039 262.8895 317.5467 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4900 TCL: Running for 0 steps PRESSURE: 4900 0 0 0 0 0 0 0 0 0 GPRESSURE: 4900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4900 255.4472 688.0795 390.4010 38.6651 -1782.5815 -297.0691 0.0000 0.0000 961.8644 254.8065 316.2575 266.9162 266.6168 316.2575 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 4950 TCL: Running for 0 steps PRESSURE: 4950 0 0 0 0 0 0 0 0 0 GPRESSURE: 4950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 4950 246.2315 681.6865 383.2883 42.8681 -1819.4014 -295.0202 0.0000 0.0000 955.8792 195.5319 314.2896 207.1724 208.6510 314.2896 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5000 TCL: Running for 0 steps PRESSURE: 5000 0 0 0 0 0 0 0 0 0 GPRESSURE: 5000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5000 222.4788 701.2446 383.4096 44.4685 -1817.2888 -303.2234 0.0000 0.0000 957.7493 188.8386 314.9045 200.6269 201.4588 314.9045 LDB: LOAD: AVG 0.0645268 MAX 0.695025 MSGS: TOTAL 59 MAXC 7 MAXP 12 None LDB: LOAD: AVG 0.0645268 MAX 0.279585 MSGS: TOTAL 85 MAXC 7 MAXP 14 Alg7 Info: Testing curOverload 166=2.68 [min,max]=0, 332 Info: Testing curOverload 83=1.85 [min,max]=0, 166 Info: Testing curOverload 41=1.43 [min,max]=0, 83 Info: Testing curOverload 20=1.22 [min,max]=0, 41 Info: Testing curOverload 10=1.12 [min,max]=0, 20 Info: Testing curOverload 15=1.17 [min,max]=10, 20 Info: Testing curOverload 17=1.19 [min,max]=15, 20 Info: Testing curOverload 18=1.2 [min,max]=17, 20 LDB: LOAD: AVG 0.0645268 MAX 0.279585 MSGS: TOTAL 86 MAXC 7 MAXP 14 Alg7 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5050 TCL: Running for 0 steps PRESSURE: 5050 0 0 0 0 0 0 0 0 0 GPRESSURE: 5050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5050 233.6838 712.1702 375.3106 40.4838 -1817.9922 -278.3037 0.0000 0.0000 961.1517 226.5041 316.0232 238.8182 237.6266 316.0232 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5100 TCL: Running for 0 steps PRESSURE: 5100 0 0 0 0 0 0 0 0 0 GPRESSURE: 5100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5100 232.8599 695.9892 385.8750 35.0672 -1816.1832 -289.4282 0.0000 0.0000 956.9642 201.1442 314.6464 212.6743 214.4967 314.6464 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5150 TCL: Running for 0 steps PRESSURE: 5150 0 0 0 0 0 0 0 0 0 GPRESSURE: 5150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5150 231.5250 699.0248 389.8646 40.4502 -1798.9777 -289.4970 0.0000 0.0000 963.0951 235.4849 316.6622 247.4670 247.4808 316.6622 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5200 TCL: Running for 0 steps PRESSURE: 5200 0 0 0 0 0 0 0 0 0 GPRESSURE: 5200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5200 232.5160 684.9603 388.0862 38.0302 -1758.9233 -302.3204 0.0000 0.0000 959.4027 241.7516 315.4482 253.6256 254.0440 315.4482 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5250 TCL: Running for 0 steps PRESSURE: 5250 0 0 0 0 0 0 0 0 0 GPRESSURE: 5250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5250 219.5512 716.5110 390.2996 39.8704 -1746.0255 -304.4229 0.0000 0.0000 957.1617 272.9455 314.7113 285.0665 284.5323 314.7113 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5300 TCL: Running for 0 steps PRESSURE: 5300 0 0 0 0 0 0 0 0 0 GPRESSURE: 5300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5300 236.1813 725.4272 390.1834 42.3837 -1793.7194 -304.2439 0.0000 0.0000 960.0260 256.2383 315.6531 268.3697 267.8301 315.6531 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5350 TCL: Running for 0 steps PRESSURE: 5350 0 0 0 0 0 0 0 0 0 GPRESSURE: 5350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5350 221.5718 716.7510 394.3476 32.2633 -1783.6697 -283.9043 0.0000 0.0000 964.1637 261.5233 317.0136 273.6396 273.1903 317.0136 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5400 TCL: Running for 0 steps PRESSURE: 5400 0 0 0 0 0 0 0 0 0 GPRESSURE: 5400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5400 229.6702 709.0252 390.8040 42.3755 -1809.2231 -275.3637 0.0000 0.0000 959.6243 246.9123 315.5210 258.6741 259.5822 315.5210 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5450 TCL: Running for 0 steps PRESSURE: 5450 0 0 0 0 0 0 0 0 0 GPRESSURE: 5450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5450 232.0082 724.8718 393.7127 37.9340 -1790.6780 -283.6164 0.0000 0.0000 958.1149 272.3473 315.0247 284.6732 283.4091 315.0247 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5500 TCL: Running for 0 steps PRESSURE: 5500 0 0 0 0 0 0 0 0 0 GPRESSURE: 5500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5500 230.2479 699.8349 393.9512 50.9007 -1789.2968 -295.6163 0.0000 0.0000 959.2112 249.2328 315.3852 261.5519 260.3925 315.3852 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5550 TCL: Running for 0 steps PRESSURE: 5550 0 0 0 0 0 0 0 0 0 GPRESSURE: 5550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5550 259.0175 699.3660 386.3827 38.7981 -1802.2283 -290.4775 0.0000 0.0000 959.6739 250.5325 315.5373 263.1313 260.9953 315.5373 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5600 TCL: Running for 0 steps PRESSURE: 5600 0 0 0 0 0 0 0 0 0 GPRESSURE: 5600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5600 228.4219 711.9676 393.3458 43.2248 -1812.3433 -283.5561 0.0000 0.0000 962.5011 243.5619 316.4669 255.3908 256.2754 316.4669 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5650 TCL: Running for 0 steps PRESSURE: 5650 0 0 0 0 0 0 0 0 0 GPRESSURE: 5650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5650 241.9676 675.2757 387.2100 47.4247 -1761.4639 -283.3439 0.0000 0.0000 955.7524 262.8226 314.2479 274.8888 274.8283 314.2479 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5700 TCL: Running for 0 steps PRESSURE: 5700 0 0 0 0 0 0 0 0 0 GPRESSURE: 5700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5700 236.9232 683.1381 382.0214 39.4348 -1753.1308 -302.3883 0.0000 0.0000 954.8488 240.8472 313.9508 252.9533 252.7467 313.9508 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5750 TCL: Running for 0 steps PRESSURE: 5750 0 0 0 0 0 0 0 0 0 GPRESSURE: 5750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5750 243.0977 721.7643 375.6174 39.5273 -1792.0810 -284.8123 0.0000 0.0000 953.7081 256.8216 313.5758 269.0196 268.4815 313.5758 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5800 TCL: Running for 0 steps PRESSURE: 5800 0 0 0 0 0 0 0 0 0 GPRESSURE: 5800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5800 238.6508 722.7726 372.8221 35.9625 -1796.9830 -295.8543 0.0000 0.0000 961.1642 238.5350 316.0273 250.5930 250.6138 316.0273 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5850 TCL: Running for 0 steps PRESSURE: 5850 0 0 0 0 0 0 0 0 0 GPRESSURE: 5850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5850 246.8224 665.9549 377.5445 43.4201 -1771.6840 -300.6973 0.0000 0.0000 965.4206 226.7813 317.4268 238.4721 239.8683 317.4268 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5900 TCL: Running for 0 steps PRESSURE: 5900 0 0 0 0 0 0 0 0 0 GPRESSURE: 5900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5900 244.1056 730.5180 370.5228 33.4367 -1830.7362 -291.4283 0.0000 0.0000 963.9517 220.3702 316.9438 232.6433 231.7687 316.9438 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 5950 TCL: Running for 0 steps PRESSURE: 5950 0 0 0 0 0 0 0 0 0 GPRESSURE: 5950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 5950 235.4671 729.4385 387.3759 41.2569 -1806.9394 -306.7499 0.0000 0.0000 959.1365 238.9857 315.3606 251.2413 250.4867 315.3606 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6000 TCL: Running for 0 steps PRESSURE: 6000 0 0 0 0 0 0 0 0 0 GPRESSURE: 6000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6000 237.6423 706.2310 386.7732 38.9180 -1786.8911 -293.7691 0.0000 0.0000 962.4182 251.3225 316.4396 263.1316 264.0987 316.4396 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6050 TCL: Running for 0 steps PRESSURE: 6050 0 0 0 0 0 0 0 0 0 GPRESSURE: 6050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6050 244.8235 684.0980 380.4791 44.7992 -1777.4075 -305.6113 0.0000 0.0000 961.7625 232.9435 316.2240 244.5435 246.2344 316.2240 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6100 TCL: Running for 0 steps PRESSURE: 6100 0 0 0 0 0 0 0 0 0 GPRESSURE: 6100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6100 238.5074 694.0767 381.0537 38.2016 -1761.1109 -293.4491 0.0000 0.0000 968.4625 265.7417 318.4270 277.3804 278.8206 318.4270 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6150 TCL: Running for 0 steps PRESSURE: 6150 0 0 0 0 0 0 0 0 0 GPRESSURE: 6150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6150 216.9166 701.2964 391.5360 44.4208 -1786.6036 -286.4276 0.0000 0.0000 963.6452 244.7837 316.8431 256.1900 258.4115 316.8431 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6200 TCL: Running for 0 steps PRESSURE: 6200 0 0 0 0 0 0 0 0 0 GPRESSURE: 6200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6200 220.0059 671.4610 395.7907 41.9131 -1821.3045 -288.7939 0.0000 0.0000 964.9015 183.9739 317.2561 195.0369 198.4069 317.2561 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6250 TCL: Running for 0 steps PRESSURE: 6250 0 0 0 0 0 0 0 0 0 GPRESSURE: 6250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6250 228.0565 736.1744 383.8090 33.7166 -1820.5672 -283.0553 0.0000 0.0000 965.7668 243.9008 317.5407 255.8806 255.6020 317.5407 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6300 TCL: Running for 0 steps PRESSURE: 6300 0 0 0 0 0 0 0 0 0 GPRESSURE: 6300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6300 249.9957 702.4225 387.5119 43.9535 -1831.7404 -284.5397 0.0000 0.0000 961.7724 229.3759 316.2273 241.8686 239.6842 316.2273 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6350 TCL: Running for 0 steps PRESSURE: 6350 0 0 0 0 0 0 0 0 0 GPRESSURE: 6350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6350 238.5528 707.4895 387.6479 36.2459 -1793.6470 -294.7265 0.0000 0.0000 960.3960 241.9587 315.7748 254.0268 253.5714 315.7748 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6400 TCL: Running for 0 steps PRESSURE: 6400 0 0 0 0 0 0 0 0 0 GPRESSURE: 6400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6400 245.8375 698.7451 382.9912 42.0568 -1797.9435 -292.8973 0.0000 0.0000 960.7992 239.5890 315.9073 251.6396 251.2780 315.9073 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6450 TCL: Running for 0 steps PRESSURE: 6450 0 0 0 0 0 0 0 0 0 GPRESSURE: 6450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6450 241.8909 737.6142 387.5441 38.7616 -1820.0099 -289.6499 0.0000 0.0000 962.5378 258.6887 316.4790 270.7910 270.2582 316.4790 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6500 TCL: Running for 0 steps PRESSURE: 6500 0 0 0 0 0 0 0 0 0 GPRESSURE: 6500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6500 240.8209 713.2636 381.7513 37.0833 -1821.6809 -297.8112 0.0000 0.0000 957.7826 211.2096 314.9155 223.3166 222.7991 314.9155 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6550 TCL: Running for 0 steps PRESSURE: 6550 0 0 0 0 0 0 0 0 0 GPRESSURE: 6550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6550 248.1229 703.8135 376.2260 38.8263 -1826.9746 -304.3640 0.0000 0.0000 957.7956 193.4456 314.9197 204.9101 206.8348 314.9197 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6600 TCL: Running for 0 steps PRESSURE: 6600 0 0 0 0 0 0 0 0 0 GPRESSURE: 6600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6600 235.1419 739.9353 395.2908 42.9190 -1809.1678 -301.5993 0.0000 0.0000 964.7394 267.2592 317.2028 279.9385 277.1869 317.2028 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6650 TCL: Running for 0 steps PRESSURE: 6650 0 0 0 0 0 0 0 0 0 GPRESSURE: 6650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6650 256.7263 674.4008 382.5945 37.8383 -1793.7455 -292.5126 0.0000 0.0000 962.9319 228.2337 316.6086 240.0133 240.8078 316.6086 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6700 TCL: Running for 0 steps PRESSURE: 6700 0 0 0 0 0 0 0 0 0 GPRESSURE: 6700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6700 245.9648 718.7323 377.4107 43.6342 -1790.3350 -310.2356 0.0000 0.0000 957.9834 243.1549 314.9815 255.5148 254.0834 314.9815 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6750 TCL: Running for 0 steps PRESSURE: 6750 0 0 0 0 0 0 0 0 0 GPRESSURE: 6750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6750 222.0241 696.2700 388.6611 33.9484 -1789.4988 -273.8157 0.0000 0.0000 960.0031 237.5922 315.6456 249.6404 249.4674 315.6456 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6800 TCL: Running for 0 steps PRESSURE: 6800 0 0 0 0 0 0 0 0 0 GPRESSURE: 6800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6800 231.3745 704.8474 395.7002 35.4431 -1776.6189 -279.8205 0.0000 0.0000 957.8597 268.7856 314.9408 281.3091 279.3646 314.9408 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6850 TCL: Running for 0 steps PRESSURE: 6850 0 0 0 0 0 0 0 0 0 GPRESSURE: 6850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6850 267.8084 725.4811 380.2170 43.8293 -1815.6961 -265.9257 0.0000 0.0000 959.1862 294.9002 315.3770 307.4543 305.5167 315.3770 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6900 TCL: Running for 0 steps PRESSURE: 6900 0 0 0 0 0 0 0 0 0 GPRESSURE: 6900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6900 227.5982 717.1262 386.3706 41.4819 -1807.0177 -257.3637 0.0000 0.0000 958.9697 267.1652 315.3058 278.8591 280.2684 315.3058 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 6950 TCL: Running for 0 steps PRESSURE: 6950 0 0 0 0 0 0 0 0 0 GPRESSURE: 6950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 6950 216.8096 714.4456 388.7066 48.1152 -1788.4475 -299.3400 0.0000 0.0000 964.2098 244.4994 317.0287 256.9431 255.4522 317.0287 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7000 TCL: Running for 0 steps PRESSURE: 7000 0 0 0 0 0 0 0 0 0 GPRESSURE: 7000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7000 246.8238 680.6161 373.4292 44.0055 -1833.9630 -279.3303 0.0000 0.0000 961.6792 193.2604 316.1967 205.0756 206.0350 316.1967 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7050 TCL: Running for 0 steps PRESSURE: 7050 0 0 0 0 0 0 0 0 0 GPRESSURE: 7050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7050 242.8764 697.5290 387.0831 44.2573 -1758.3549 -308.5192 0.0000 0.0000 960.4128 265.2845 315.7803 277.3956 277.1854 315.7803 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7100 TCL: Running for 0 steps PRESSURE: 7100 0 0 0 0 0 0 0 0 0 GPRESSURE: 7100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7100 249.6360 718.6043 391.2464 39.4427 -1798.0413 -290.4900 0.0000 0.0000 958.9727 269.3709 315.3068 282.3508 278.8955 315.3068 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7150 TCL: Running for 0 steps PRESSURE: 7150 0 0 0 0 0 0 0 0 0 GPRESSURE: 7150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7150 233.2123 771.8961 385.4099 40.7582 -1818.5559 -296.8532 0.0000 0.0000 952.8089 268.6762 313.2801 280.9912 280.2453 313.2801 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7200 TCL: Running for 0 steps PRESSURE: 7200 0 0 0 0 0 0 0 0 0 GPRESSURE: 7200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7200 244.2760 700.4299 379.3633 46.4065 -1779.2048 -284.1652 0.0000 0.0000 955.0526 262.1584 314.0179 275.0291 272.2460 314.0179 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7250 TCL: Running for 0 steps PRESSURE: 7250 0 0 0 0 0 0 0 0 0 GPRESSURE: 7250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7250 267.0471 717.9996 370.2358 44.8533 -1804.6624 -281.0765 0.0000 0.0000 956.5251 270.9221 314.5020 283.4491 282.1290 314.5020 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7300 TCL: Running for 0 steps PRESSURE: 7300 0 0 0 0 0 0 0 0 0 GPRESSURE: 7300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7300 233.5185 729.2790 373.4454 49.4631 -1785.0488 -275.5662 0.0000 0.0000 960.0325 285.1235 315.6552 297.6533 296.4048 315.6552 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7350 TCL: Running for 0 steps PRESSURE: 7350 0 0 0 0 0 0 0 0 0 GPRESSURE: 7350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7350 250.1608 728.4290 386.6360 41.9227 -1768.9783 -310.5307 0.0000 0.0000 960.5639 288.2035 315.8300 300.4945 300.2199 315.8300 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7400 TCL: Running for 0 steps PRESSURE: 7400 0 0 0 0 0 0 0 0 0 GPRESSURE: 7400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7400 206.0472 713.2192 383.6224 46.2520 -1754.3348 -307.5258 0.0000 0.0000 955.6475 242.9277 314.2135 254.4413 257.0992 314.2135 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7450 TCL: Running for 0 steps PRESSURE: 7450 0 0 0 0 0 0 0 0 0 GPRESSURE: 7450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7450 235.0716 705.1831 385.1183 47.7441 -1743.4753 -291.5535 0.0000 0.0000 956.3844 294.4726 314.4557 306.6113 306.7591 314.4557 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7500 TCL: Running for 0 steps PRESSURE: 7500 0 0 0 0 0 0 0 0 0 GPRESSURE: 7500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7500 240.0248 718.2978 370.6542 36.6881 -1765.5289 -304.3283 0.0000 0.0000 956.9509 252.7587 314.6420 264.5219 266.0681 314.6420 LDB: LOAD: AVG 0.0856646 MAX 0.284152 MSGS: TOTAL 86 MAXC 7 MAXP 14 None LDB: LOAD: AVG 0.0856646 MAX 0.284152 MSGS: TOTAL 90 MAXC 7 MAXP 14 Refine Info: Removing unused proxy 0 on Pe(26). Info: Removing unused proxy 1 on Pe(26). Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7550 TCL: Running for 0 steps PRESSURE: 7550 0 0 0 0 0 0 0 0 0 GPRESSURE: 7550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7550 226.4445 728.6632 372.5022 42.1819 -1771.1306 -295.3280 0.0000 0.0000 956.5361 259.8694 314.5056 272.1330 271.7062 314.5056 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7600 TCL: Running for 0 steps PRESSURE: 7600 0 0 0 0 0 0 0 0 0 GPRESSURE: 7600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7600 242.8259 705.2599 380.4240 39.1369 -1770.2292 -305.6501 0.0000 0.0000 959.6389 251.4062 315.5258 263.5662 263.5548 315.5258 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7650 TCL: Running for 0 steps PRESSURE: 7650 0 0 0 0 0 0 0 0 0 GPRESSURE: 7650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7650 231.1217 678.9670 374.6235 29.3352 -1806.9094 -285.3067 0.0000 0.0000 958.3754 180.2066 315.1104 191.4199 194.9594 315.1104 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7700 TCL: Running for 0 steps PRESSURE: 7700 0 0 0 0 0 0 0 0 0 GPRESSURE: 7700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7700 260.0915 665.1578 386.2019 43.6338 -1822.6049 -279.3446 0.0000 0.0000 956.6362 209.7718 314.5386 221.2634 223.5378 314.5386 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7750 TCL: Running for 0 steps PRESSURE: 7750 0 0 0 0 0 0 0 0 0 GPRESSURE: 7750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7750 223.9207 711.8253 392.1870 45.3508 -1800.9434 -292.8081 0.0000 0.0000 961.3475 240.8797 316.0876 253.1081 252.4773 316.0876 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7800 TCL: Running for 0 steps PRESSURE: 7800 0 0 0 0 0 0 0 0 0 GPRESSURE: 7800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7800 223.8772 686.3555 379.1722 46.1759 -1779.1806 -273.2941 0.0000 0.0000 957.9657 241.0717 314.9757 253.0497 253.3975 314.9757 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7850 TCL: Running for 0 steps PRESSURE: 7850 0 0 0 0 0 0 0 0 0 GPRESSURE: 7850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7850 223.4324 677.3665 375.2106 36.7266 -1811.8561 -279.5799 0.0000 0.0000 960.1609 181.4610 315.6975 192.5953 196.0850 315.6975 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7900 TCL: Running for 0 steps PRESSURE: 7900 0 0 0 0 0 0 0 0 0 GPRESSURE: 7900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7900 224.0786 701.8624 381.9040 37.3419 -1805.2779 -293.2057 0.0000 0.0000 962.5483 209.2516 316.4824 220.4822 223.3930 316.4824 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 7950 TCL: Running for 0 steps PRESSURE: 7950 0 0 0 0 0 0 0 0 0 GPRESSURE: 7950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 7950 246.1101 669.3968 381.1276 43.5118 -1830.4510 -297.6687 0.0000 0.0000 961.4690 173.4957 316.1276 184.4800 188.1321 316.1276 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8000 TCL: Running for 0 steps PRESSURE: 8000 0 0 0 0 0 0 0 0 0 GPRESSURE: 8000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8000 243.1007 703.1007 392.1214 43.8106 -1834.7457 -275.3580 0.0000 0.0000 956.9588 228.9884 314.6446 241.1506 240.1576 314.6446 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8050 TCL: Running for 0 steps PRESSURE: 8050 0 0 0 0 0 0 0 0 0 GPRESSURE: 8050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8050 246.0832 725.9619 393.0894 41.6989 -1794.9875 -289.8693 0.0000 0.0000 958.1526 280.1293 315.0371 292.3523 291.1934 315.0371 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8100 TCL: Running for 0 steps PRESSURE: 8100 0 0 0 0 0 0 0 0 0 GPRESSURE: 8100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8100 219.4937 717.5406 385.7897 44.1940 -1804.6155 -288.2631 0.0000 0.0000 960.6706 234.8100 315.8650 246.5188 247.3608 315.8650 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8150 TCL: Running for 0 steps PRESSURE: 8150 0 0 0 0 0 0 0 0 0 GPRESSURE: 8150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8150 236.4694 719.2961 381.2249 45.5779 -1849.0903 -277.2578 0.0000 0.0000 961.2407 217.4607 316.0525 229.1485 230.0163 316.0525 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8200 TCL: Running for 0 steps PRESSURE: 8200 0 0 0 0 0 0 0 0 0 GPRESSURE: 8200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8200 236.0557 693.1518 390.1294 39.6892 -1830.5090 -276.4007 0.0000 0.0000 968.1330 220.2494 318.3186 232.2918 231.7756 318.3186 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8250 TCL: Running for 0 steps PRESSURE: 8250 0 0 0 0 0 0 0 0 0 GPRESSURE: 8250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8250 251.9685 700.7365 366.1221 50.8266 -1797.5966 -299.8241 0.0000 0.0000 964.0395 236.2725 316.9727 248.5524 247.1779 316.9727 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8300 TCL: Running for 0 steps PRESSURE: 8300 0 0 0 0 0 0 0 0 0 GPRESSURE: 8300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8300 226.6861 710.6255 383.3989 48.1824 -1805.3590 -295.8168 0.0000 0.0000 961.8243 229.5415 316.2444 241.5283 241.3388 316.2444 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8350 TCL: Running for 0 steps PRESSURE: 8350 0 0 0 0 0 0 0 0 0 GPRESSURE: 8350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8350 238.4722 716.3554 388.3319 50.1483 -1812.3117 -296.6059 0.0000 0.0000 963.8360 248.2261 316.9058 260.0563 260.4661 316.9058 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8400 TCL: Running for 0 steps PRESSURE: 8400 0 0 0 0 0 0 0 0 0 GPRESSURE: 8400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8400 266.0297 684.2596 387.6079 41.1589 -1804.2435 -292.6618 0.0000 0.0000 966.6499 248.8007 317.8310 261.1429 259.6071 317.8310 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8450 TCL: Running for 0 steps PRESSURE: 8450 0 0 0 0 0 0 0 0 0 GPRESSURE: 8450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8450 228.6606 714.7079 398.0448 40.1146 -1751.6463 -292.0637 0.0000 0.0000 970.1571 307.9751 318.9842 320.2732 318.9986 318.9842 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8500 TCL: Running for 0 steps PRESSURE: 8500 0 0 0 0 0 0 0 0 0 GPRESSURE: 8500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8500 257.6926 698.7577 366.1652 46.8898 -1832.0798 -264.6638 0.0000 0.0000 966.8612 239.6229 317.9005 251.3695 252.2428 317.9005 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8550 TCL: Running for 0 steps PRESSURE: 8550 0 0 0 0 0 0 0 0 0 GPRESSURE: 8550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8550 251.0554 753.4034 389.1873 40.4351 -1837.9625 -265.6394 0.0000 0.0000 965.9120 296.3912 317.5884 308.9224 306.7986 317.5884 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8600 TCL: Running for 0 steps PRESSURE: 8600 0 0 0 0 0 0 0 0 0 GPRESSURE: 8600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8600 247.4648 730.8498 384.5794 46.4610 -1786.3844 -312.8064 0.0000 0.0000 956.2050 266.3691 314.3968 278.8646 277.0073 314.3968 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8650 TCL: Running for 0 steps PRESSURE: 8650 0 0 0 0 0 0 0 0 0 GPRESSURE: 8650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8650 244.7840 691.3194 376.2890 38.2836 -1787.9656 -286.2638 0.0000 0.0000 962.2877 238.7342 316.3967 250.5069 251.4764 316.3967 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8700 TCL: Running for 0 steps PRESSURE: 8700 0 0 0 0 0 0 0 0 0 GPRESSURE: 8700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8700 260.2658 703.2488 387.1113 39.9233 -1766.5735 -294.4044 0.0000 0.0000 959.5947 289.1659 315.5113 301.6520 299.8855 315.5113 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8750 TCL: Running for 0 steps PRESSURE: 8750 0 0 0 0 0 0 0 0 0 GPRESSURE: 8750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8750 257.8359 716.0575 374.2088 47.0027 -1814.5817 -273.4043 0.0000 0.0000 960.5329 267.6517 315.8197 280.4545 277.6108 315.8197 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8800 TCL: Running for 0 steps PRESSURE: 8800 0 0 0 0 0 0 0 0 0 GPRESSURE: 8800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8800 262.6243 750.8592 373.4580 37.5179 -1797.9586 -296.1335 0.0000 0.0000 960.9431 291.3104 315.9546 303.9621 301.8629 315.9546 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8850 TCL: Running for 0 steps PRESSURE: 8850 0 0 0 0 0 0 0 0 0 GPRESSURE: 8850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8850 225.1120 752.6281 371.7931 42.8637 -1826.3076 -296.0226 0.0000 0.0000 964.7797 234.8465 317.2161 247.0985 246.6292 317.2161 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8900 TCL: Running for 0 steps PRESSURE: 8900 0 0 0 0 0 0 0 0 0 GPRESSURE: 8900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8900 203.8791 767.8434 376.8583 47.9498 -1779.4132 -290.7866 0.0000 0.0000 959.3871 285.7179 315.4430 298.4139 296.3091 315.4430 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 8950 TCL: Running for 0 steps PRESSURE: 8950 0 0 0 0 0 0 0 0 0 GPRESSURE: 8950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 8950 230.8941 713.8596 371.8086 40.5011 -1781.3834 -289.0326 0.0000 0.0000 956.6130 243.2603 314.5309 255.6694 254.7720 314.5309 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9000 TCL: Running for 0 steps PRESSURE: 9000 0 0 0 0 0 0 0 0 0 GPRESSURE: 9000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9000 223.4609 714.3524 380.4980 41.1806 -1826.6385 -285.6550 0.0000 0.0000 959.1319 206.3302 315.3591 218.1470 219.5269 315.3591 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9050 TCL: Running for 0 steps PRESSURE: 9050 0 0 0 0 0 0 0 0 0 GPRESSURE: 9050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9050 256.5446 701.2541 408.2779 49.8173 -1826.4272 -295.8604 0.0000 0.0000 964.9498 258.5561 317.2720 270.7901 270.5191 317.2720 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9100 TCL: Running for 0 steps PRESSURE: 9100 0 0 0 0 0 0 0 0 0 GPRESSURE: 9100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9100 248.1171 727.8970 377.7754 43.4265 -1868.2734 -255.3942 0.0000 0.0000 955.6733 229.2216 314.2219 241.6288 240.7253 314.2219 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9150 TCL: Running for 0 steps PRESSURE: 9150 0 0 0 0 0 0 0 0 0 GPRESSURE: 9150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9150 224.3677 737.5662 388.4578 45.0206 -1831.8659 -290.8521 0.0000 0.0000 962.1076 234.8018 316.3375 246.6799 247.8172 316.3375 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9200 TCL: Running for 0 steps PRESSURE: 9200 0 0 0 0 0 0 0 0 0 GPRESSURE: 9200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9200 214.2176 732.1212 388.3940 39.9808 -1822.6648 -282.1519 0.0000 0.0000 965.4100 235.3070 317.4233 246.9397 248.9259 317.4233 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9250 TCL: Running for 0 steps PRESSURE: 9250 0 0 0 0 0 0 0 0 0 GPRESSURE: 9250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9250 258.9715 730.7298 392.4357 42.0990 -1815.0249 -317.2617 0.0000 0.0000 968.5821 260.5315 318.4663 272.4162 273.3332 318.4663 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9300 TCL: Running for 0 steps PRESSURE: 9300 0 0 0 0 0 0 0 0 0 GPRESSURE: 9300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9300 238.7855 719.7977 391.6043 44.3286 -1819.5511 -296.2298 0.0000 0.0000 964.8430 243.5782 317.2369 255.7434 255.5513 317.2369 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9350 TCL: Running for 0 steps PRESSURE: 9350 0 0 0 0 0 0 0 0 0 GPRESSURE: 9350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9350 225.9272 727.4060 379.7610 39.6101 -1813.7886 -293.2654 0.0000 0.0000 963.8473 229.4975 316.9095 241.1717 242.8330 316.9095 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9400 TCL: Running for 0 steps PRESSURE: 9400 0 0 0 0 0 0 0 0 0 GPRESSURE: 9400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9400 232.1344 694.1795 396.6711 49.5790 -1771.3275 -307.7401 0.0000 0.0000 963.0046 256.5010 316.6325 268.0667 270.0312 316.6325 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9450 TCL: Running for 0 steps PRESSURE: 9450 0 0 0 0 0 0 0 0 0 GPRESSURE: 9450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9450 248.2371 703.8813 386.2711 42.2054 -1797.9762 -285.1276 0.0000 0.0000 960.7546 258.2457 315.8927 270.3344 270.2145 315.8927 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9500 TCL: Running for 0 steps PRESSURE: 9500 0 0 0 0 0 0 0 0 0 GPRESSURE: 9500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9500 253.5197 733.7157 383.4177 43.4965 -1800.9651 -311.1395 0.0000 0.0000 957.5938 259.6389 314.8534 271.6554 271.8136 314.8534 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9550 TCL: Running for 0 steps PRESSURE: 9550 0 0 0 0 0 0 0 0 0 GPRESSURE: 9550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9550 233.9520 770.9632 380.4788 33.3000 -1799.0404 -303.8448 0.0000 0.0000 959.6591 275.4680 315.5325 287.8386 286.6592 315.5325 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9600 TCL: Running for 0 steps PRESSURE: 9600 0 0 0 0 0 0 0 0 0 GPRESSURE: 9600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9600 221.7949 754.0193 377.1753 35.8957 -1791.1413 -300.7038 0.0000 0.0000 962.9269 259.9669 316.6069 272.3483 271.2023 316.6069 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9650 TCL: Running for 0 steps PRESSURE: 9650 0 0 0 0 0 0 0 0 0 GPRESSURE: 9650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9650 235.1688 714.0859 383.7905 49.9891 -1803.0255 -278.4446 0.0000 0.0000 958.9218 260.4859 315.2900 272.9810 271.4803 315.2900 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9700 TCL: Running for 0 steps PRESSURE: 9700 0 0 0 0 0 0 0 0 0 GPRESSURE: 9700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9700 241.3876 706.6519 377.3147 39.2009 -1807.5539 -297.2655 0.0000 0.0000 960.0197 219.7554 315.6510 231.5766 232.6967 315.6510 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9750 TCL: Running for 0 steps PRESSURE: 9750 0 0 0 0 0 0 0 0 0 GPRESSURE: 9750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9750 228.0063 687.1328 375.1079 43.6882 -1806.3437 -285.2603 0.0000 0.0000 961.7111 204.0423 316.2072 215.5229 217.8505 316.2072 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9800 TCL: Running for 0 steps PRESSURE: 9800 0 0 0 0 0 0 0 0 0 GPRESSURE: 9800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9800 239.4004 716.2606 382.3531 41.8806 -1807.9410 -270.3206 0.0000 0.0000 958.4659 260.0990 315.1401 272.3607 271.6134 315.1401 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9850 TCL: Running for 0 steps PRESSURE: 9850 0 0 0 0 0 0 0 0 0 GPRESSURE: 9850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9850 232.8343 738.4149 367.3523 43.9273 -1792.5035 -288.3642 0.0000 0.0000 961.5452 263.2062 316.1526 275.5470 274.5497 316.1526 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9900 TCL: Running for 0 steps PRESSURE: 9900 0 0 0 0 0 0 0 0 0 GPRESSURE: 9900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9900 228.1868 711.4742 385.2473 37.7007 -1768.8382 -306.0055 0.0000 0.0000 960.8801 248.6454 315.9339 260.8512 260.4227 315.9339 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 9950 TCL: Running for 0 steps PRESSURE: 9950 0 0 0 0 0 0 0 0 0 GPRESSURE: 9950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 9950 226.0999 693.8820 392.7711 47.3094 -1784.7413 -272.6292 0.0000 0.0000 962.0829 264.7748 316.3294 276.8619 276.9052 316.3294 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10000 TCL: Running for 0 steps PRESSURE: 10000 0 0 0 0 0 0 0 0 0 GPRESSURE: 10000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10000 253.3721 700.3742 387.0058 35.5744 -1783.6461 -293.9129 0.0000 0.0000 960.0708 258.8384 315.6678 270.8457 271.1855 315.6678 LDB: LOAD: AVG 0.0861772 MAX 0.284909 MSGS: TOTAL 90 MAXC 7 MAXP 14 None LDB: LOAD: AVG 0.0861772 MAX 0.284909 MSGS: TOTAL 91 MAXC 7 MAXP 14 Refine Info: Removing unused proxy 1 on Pe(15). Info: Removing unused proxy 4 on Pe(35). Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10050 TCL: Running for 0 steps PRESSURE: 10050 0 0 0 0 0 0 0 0 0 GPRESSURE: 10050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10050 213.1314 732.4530 375.7381 41.7320 -1740.5780 -306.2887 0.0000 0.0000 960.0902 276.2780 315.6742 288.5503 287.8754 315.6742 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10100 TCL: Running for 0 steps PRESSURE: 10100 0 0 0 0 0 0 0 0 0 GPRESSURE: 10100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10100 232.1300 705.6069 402.5845 42.7147 -1786.6156 -277.3396 0.0000 0.0000 960.7606 279.8415 315.8946 291.7724 292.4199 315.8946 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10150 TCL: Running for 0 steps PRESSURE: 10150 0 0 0 0 0 0 0 0 0 GPRESSURE: 10150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10150 237.6158 706.7835 373.2512 42.9549 -1799.8312 -297.0933 0.0000 0.0000 962.3650 226.0459 316.4221 237.4410 240.0570 316.4221 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10200 TCL: Running for 0 steps PRESSURE: 10200 0 0 0 0 0 0 0 0 0 GPRESSURE: 10200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10200 224.0875 713.8462 377.6539 41.4642 -1793.2050 -290.9439 0.0000 0.0000 968.5602 241.4632 318.4591 253.0790 254.7039 318.4591 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10250 TCL: Running for 0 steps PRESSURE: 10250 0 0 0 0 0 0 0 0 0 GPRESSURE: 10250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10250 238.4975 687.7559 373.4435 41.3400 -1786.2178 -301.3576 0.0000 0.0000 957.1459 210.6074 314.7061 221.9325 224.5461 314.7061 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10300 TCL: Running for 0 steps PRESSURE: 10300 0 0 0 0 0 0 0 0 0 GPRESSURE: 10300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10300 234.3608 728.0566 373.5107 40.2539 -1789.8603 -299.2154 0.0000 0.0000 958.9302 246.0364 315.2928 257.8437 258.4854 315.2928 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10350 TCL: Running for 0 steps PRESSURE: 10350 0 0 0 0 0 0 0 0 0 GPRESSURE: 10350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10350 247.1472 687.4350 385.6568 33.1317 -1812.9452 -309.3374 0.0000 0.0000 962.7445 193.8325 316.5469 205.1891 207.4810 316.5469 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10400 TCL: Running for 0 steps PRESSURE: 10400 0 0 0 0 0 0 0 0 0 GPRESSURE: 10400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10400 259.9561 708.4534 390.6036 44.3145 -1834.6492 -293.6430 0.0000 0.0000 952.8788 227.9143 313.3031 239.7859 240.0032 313.3031 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10450 TCL: Running for 0 steps PRESSURE: 10450 0 0 0 0 0 0 0 0 0 GPRESSURE: 10450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10450 265.4503 694.8220 374.7574 39.6385 -1804.7235 -321.6021 0.0000 0.0000 959.2246 207.5673 315.3896 219.3258 219.9537 315.3896 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10500 TCL: Running for 0 steps PRESSURE: 10500 0 0 0 0 0 0 0 0 0 GPRESSURE: 10500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10500 239.1477 683.6799 362.4592 48.2217 -1807.3386 -278.1268 0.0000 0.0000 959.7242 207.7671 315.5539 219.7726 219.4354 315.5539 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10550 TCL: Running for 0 steps PRESSURE: 10550 0 0 0 0 0 0 0 0 0 GPRESSURE: 10550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10550 241.5999 720.4563 373.4697 36.0953 -1824.5259 -285.3052 0.0000 0.0000 959.3934 221.1835 315.4451 233.2396 232.7335 315.4451 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10600 TCL: Running for 0 steps PRESSURE: 10600 0 0 0 0 0 0 0 0 0 GPRESSURE: 10600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10600 228.1511 757.1302 388.1512 42.5337 -1807.8398 -299.9469 0.0000 0.0000 958.8736 267.0530 315.2742 279.3665 277.9270 315.2742 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10650 TCL: Running for 0 steps PRESSURE: 10650 0 0 0 0 0 0 0 0 0 GPRESSURE: 10650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10650 236.4436 723.7752 375.1300 39.0776 -1808.2092 -301.4522 0.0000 0.0000 960.9095 225.6745 315.9436 237.3372 238.4281 315.9436 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10700 TCL: Running for 0 steps PRESSURE: 10700 0 0 0 0 0 0 0 0 0 GPRESSURE: 10700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10700 246.0927 695.0168 377.6625 40.1256 -1807.9959 -294.7270 0.0000 0.0000 956.3499 212.5246 314.4444 224.4584 224.4640 314.4444 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10750 TCL: Running for 0 steps PRESSURE: 10750 0 0 0 0 0 0 0 0 0 GPRESSURE: 10750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10750 248.2765 706.0200 381.5935 42.3001 -1804.4713 -292.5543 0.0000 0.0000 955.8867 237.0512 314.2921 248.9287 249.1455 314.2921 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10800 TCL: Running for 0 steps PRESSURE: 10800 0 0 0 0 0 0 0 0 0 GPRESSURE: 10800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10800 223.4695 700.5099 382.6346 33.3150 -1765.6565 -277.6704 0.0000 0.0000 963.8501 260.4522 316.9104 272.4565 272.1842 316.9104 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10850 TCL: Running for 0 steps PRESSURE: 10850 0 0 0 0 0 0 0 0 0 GPRESSURE: 10850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10850 240.9304 718.5593 374.2628 46.1551 -1812.6617 -297.8902 0.0000 0.0000 961.4847 230.8403 316.1327 242.9495 242.3009 316.1327 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10900 TCL: Running for 0 steps PRESSURE: 10900 0 0 0 0 0 0 0 0 0 GPRESSURE: 10900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10900 221.5489 741.0115 376.7329 35.2011 -1833.4647 -259.6293 0.0000 0.0000 961.5643 242.9647 316.1589 255.2708 253.9244 316.1589 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 10950 TCL: Running for 0 steps PRESSURE: 10950 0 0 0 0 0 0 0 0 0 GPRESSURE: 10950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 10950 224.1913 720.7027 377.0063 43.4165 -1836.7922 -279.5136 0.0000 0.0000 961.0006 210.0117 315.9736 221.6875 222.7887 315.9736 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11000 TCL: Running for 0 steps PRESSURE: 11000 0 0 0 0 0 0 0 0 0 GPRESSURE: 11000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11000 248.9876 702.3444 380.3277 39.8396 -1794.5543 -294.5739 0.0000 0.0000 959.3021 241.6732 315.4151 254.3739 251.5628 315.4151 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11050 TCL: Running for 0 steps PRESSURE: 11050 0 0 0 0 0 0 0 0 0 GPRESSURE: 11050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11050 245.0094 721.9387 363.1991 40.2422 -1832.1382 -270.1281 0.0000 0.0000 957.2712 225.3944 314.7473 237.7089 236.5219 314.7473 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11100 TCL: Running for 0 steps PRESSURE: 11100 0 0 0 0 0 0 0 0 0 GPRESSURE: 11100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11100 228.8943 747.4475 365.4084 43.1507 -1854.5989 -283.2939 0.0000 0.0000 959.4149 206.4231 315.4522 218.4839 218.3223 315.4522 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11150 TCL: Running for 0 steps PRESSURE: 11150 0 0 0 0 0 0 0 0 0 GPRESSURE: 11150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11150 271.6204 698.8540 380.1164 44.4384 -1851.9018 -275.7929 0.0000 0.0000 960.4520 227.7864 315.7932 240.2215 238.6665 315.7932 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11200 TCL: Running for 0 steps PRESSURE: 11200 0 0 0 0 0 0 0 0 0 GPRESSURE: 11200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11200 252.9090 761.9261 379.5317 39.1073 -1872.0619 -281.4244 0.0000 0.0000 961.0121 240.9998 315.9773 253.9137 250.6605 315.9773 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11250 TCL: Running for 0 steps PRESSURE: 11250 0 0 0 0 0 0 0 0 0 GPRESSURE: 11250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11250 236.8686 742.8757 366.8594 40.7628 -1833.9241 -306.5310 0.0000 0.0000 957.4203 204.3317 314.7963 216.2333 216.9796 314.7963 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11300 TCL: Running for 0 steps PRESSURE: 11300 0 0 0 0 0 0 0 0 0 GPRESSURE: 11300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11300 216.4079 730.3856 374.1188 44.0116 -1825.4052 -302.5737 0.0000 0.0000 958.9574 195.9024 315.3017 207.5409 209.2271 315.3017 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11350 TCL: Running for 0 steps PRESSURE: 11350 0 0 0 0 0 0 0 0 0 GPRESSURE: 11350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11350 230.9857 682.4196 388.5179 36.8063 -1840.2834 -287.5012 0.0000 0.0000 960.7392 171.6840 315.8876 183.2966 184.9743 315.8876 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11400 TCL: Running for 0 steps PRESSURE: 11400 0 0 0 0 0 0 0 0 0 GPRESSURE: 11400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11400 230.5562 658.0437 369.2240 38.0531 -1823.6415 -267.5070 0.0000 0.0000 961.5126 166.2411 316.1419 177.7395 179.7409 316.1419 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11450 TCL: Running for 0 steps PRESSURE: 11450 0 0 0 0 0 0 0 0 0 GPRESSURE: 11450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11450 216.1368 720.5734 366.7969 37.6078 -1839.5269 -290.2338 0.0000 0.0000 966.1774 177.5316 317.6756 189.2348 190.3432 317.6756 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11500 TCL: Running for 0 steps PRESSURE: 11500 0 0 0 0 0 0 0 0 0 GPRESSURE: 11500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11500 232.6926 685.4686 381.0437 37.6288 -1810.5874 -311.4491 0.0000 0.0000 962.8790 177.6762 316.5911 189.1221 191.1261 316.5911 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11550 TCL: Running for 0 steps PRESSURE: 11550 0 0 0 0 0 0 0 0 0 GPRESSURE: 11550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11550 224.7784 663.5195 385.1716 45.8314 -1834.5961 -260.2535 0.0000 0.0000 965.0302 189.4815 317.2984 201.1360 202.2323 317.2984 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11600 TCL: Running for 0 steps PRESSURE: 11600 0 0 0 0 0 0 0 0 0 GPRESSURE: 11600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11600 239.2987 682.7321 381.5261 42.3311 -1826.2178 -265.7304 0.0000 0.0000 962.3858 216.3257 316.4290 228.0349 228.8573 316.4290 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11650 TCL: Running for 0 steps PRESSURE: 11650 0 0 0 0 0 0 0 0 0 GPRESSURE: 11650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11650 243.8714 719.6754 383.1761 44.4403 -1838.7344 -264.4816 0.0000 0.0000 959.3699 247.3170 315.4374 259.7259 257.8731 315.4374 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11700 TCL: Running for 0 steps PRESSURE: 11700 0 0 0 0 0 0 0 0 0 GPRESSURE: 11700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11700 219.5269 677.1856 394.2822 41.5417 -1839.1828 -279.0527 0.0000 0.0000 960.1470 174.4480 315.6929 185.6684 188.3882 315.6929 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11750 TCL: Running for 0 steps PRESSURE: 11750 0 0 0 0 0 0 0 0 0 GPRESSURE: 11750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11750 223.4428 704.8039 386.9434 40.6810 -1818.8062 -295.0844 0.0000 0.0000 959.8057 201.7862 315.5807 213.4596 214.3109 315.5807 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11800 TCL: Running for 0 steps PRESSURE: 11800 0 0 0 0 0 0 0 0 0 GPRESSURE: 11800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11800 237.9948 689.8968 381.8865 32.8657 -1798.2021 -297.0578 0.0000 0.0000 956.1880 203.5719 314.3912 215.1855 216.2080 314.3912 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11850 TCL: Running for 0 steps PRESSURE: 11850 0 0 0 0 0 0 0 0 0 GPRESSURE: 11850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11850 239.9611 690.3214 363.1300 41.5290 -1794.0022 -283.2251 0.0000 0.0000 960.2656 217.9798 315.7319 229.7864 230.0208 315.7319 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11900 TCL: Running for 0 steps PRESSURE: 11900 0 0 0 0 0 0 0 0 0 GPRESSURE: 11900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11900 239.7499 691.2731 387.3426 42.0668 -1839.3755 -273.7810 0.0000 0.0000 966.3895 213.6654 317.7454 225.6171 225.2928 317.7454 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 11950 TCL: Running for 0 steps PRESSURE: 11950 0 0 0 0 0 0 0 0 0 GPRESSURE: 11950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 11950 246.5259 697.3637 397.4073 48.8639 -1827.6095 -271.7823 0.0000 0.0000 965.3478 256.1168 317.4029 268.1373 267.5753 317.4029 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12000 TCL: Running for 0 steps PRESSURE: 12000 0 0 0 0 0 0 0 0 0 GPRESSURE: 12000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12000 246.6121 666.9451 374.1301 42.3305 -1806.4195 -277.4290 0.0000 0.0000 964.6612 210.8305 317.1771 222.6740 222.8110 317.1771 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12050 TCL: Running for 0 steps PRESSURE: 12050 0 0 0 0 0 0 0 0 0 GPRESSURE: 12050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12050 235.7384 706.4506 379.9468 41.6658 -1833.1496 -280.8684 0.0000 0.0000 967.1588 216.9423 317.9983 228.2212 230.4671 317.9983 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12100 TCL: Running for 0 steps PRESSURE: 12100 0 0 0 0 0 0 0 0 0 GPRESSURE: 12100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12100 236.7011 747.8879 390.1352 50.4169 -1828.7234 -287.7152 0.0000 0.0000 964.1728 272.8754 317.0166 285.5229 282.4960 317.0166 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12150 TCL: Running for 0 steps PRESSURE: 12150 0 0 0 0 0 0 0 0 0 GPRESSURE: 12150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12150 252.9353 689.7059 387.0408 38.0051 -1832.7694 -272.7685 0.0000 0.0000 967.5733 229.7225 318.1346 241.7688 241.1857 318.1346 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12200 TCL: Running for 0 steps PRESSURE: 12200 0 0 0 0 0 0 0 0 0 GPRESSURE: 12200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12200 244.7971 691.6665 384.5896 43.8299 -1803.8842 -272.7709 0.0000 0.0000 968.5426 256.7707 318.4533 268.7658 268.4110 318.4533 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12250 TCL: Running for 0 steps PRESSURE: 12250 0 0 0 0 0 0 0 0 0 GPRESSURE: 12250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12250 258.9310 724.5391 390.5560 36.0105 -1801.4358 -302.7794 0.0000 0.0000 965.8485 271.6699 317.5675 284.3416 281.4719 317.5675 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12300 TCL: Running for 0 steps PRESSURE: 12300 0 0 0 0 0 0 0 0 0 GPRESSURE: 12300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12300 230.6583 730.5550 393.7965 46.7987 -1785.2723 -302.7212 0.0000 0.0000 960.1708 273.9859 315.7007 286.4963 284.4105 315.7007 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12350 TCL: Running for 0 steps PRESSURE: 12350 0 0 0 0 0 0 0 0 0 GPRESSURE: 12350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12350 234.6587 739.5172 391.0382 40.4072 -1817.4724 -297.4730 0.0000 0.0000 963.4805 254.1563 316.7889 266.0151 266.5035 316.7889 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12400 TCL: Running for 0 steps PRESSURE: 12400 0 0 0 0 0 0 0 0 0 GPRESSURE: 12400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12400 236.2412 742.2598 372.3455 35.3930 -1798.8757 -321.1520 0.0000 0.0000 962.6161 228.8280 316.5047 240.9226 240.4960 316.5047 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12450 TCL: Running for 0 steps PRESSURE: 12450 0 0 0 0 0 0 0 0 0 GPRESSURE: 12450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12450 240.6655 697.4418 394.0381 37.4211 -1794.4557 -292.3745 0.0000 0.0000 968.4042 251.1405 318.4078 262.9768 263.5454 318.4078 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12500 TCL: Running for 0 steps PRESSURE: 12500 0 0 0 0 0 0 0 0 0 GPRESSURE: 12500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12500 199.0771 680.9485 390.8287 38.2890 -1782.5378 -285.3387 0.0000 0.0000 972.9119 214.1787 319.8899 225.0429 229.2214 319.8899 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12550 TCL: Running for 0 steps PRESSURE: 12550 0 0 0 0 0 0 0 0 0 GPRESSURE: 12550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12550 232.5830 697.7944 380.8121 35.8773 -1807.6727 -301.2058 0.0000 0.0000 966.5575 204.7458 317.8006 215.7670 219.0958 317.8006 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12600 TCL: Running for 0 steps PRESSURE: 12600 0 0 0 0 0 0 0 0 0 GPRESSURE: 12600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12600 257.5178 689.1758 384.4861 38.7960 -1794.4478 -288.4417 0.0000 0.0000 970.1001 257.1863 318.9654 269.1264 268.8011 318.9654 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12650 TCL: Running for 0 steps PRESSURE: 12650 0 0 0 0 0 0 0 0 0 GPRESSURE: 12650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12650 249.6502 728.5500 397.1574 41.8598 -1796.8541 -297.5847 0.0000 0.0000 969.4848 292.2634 318.7631 304.0661 304.2762 318.7631 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12700 TCL: Running for 0 steps PRESSURE: 12700 0 0 0 0 0 0 0 0 0 GPRESSURE: 12700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12700 226.7697 705.2127 400.4697 43.6608 -1781.6806 -278.8791 0.0000 0.0000 972.9760 288.5293 319.9110 300.4745 300.1372 319.9110 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12750 TCL: Running for 0 steps PRESSURE: 12750 0 0 0 0 0 0 0 0 0 GPRESSURE: 12750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12750 242.7456 707.8350 393.6626 34.1932 -1778.7463 -305.5528 0.0000 0.0000 970.1326 264.2699 318.9761 276.6526 274.6960 318.9761 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12800 TCL: Running for 0 steps PRESSURE: 12800 0 0 0 0 0 0 0 0 0 GPRESSURE: 12800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12800 228.8535 710.7825 403.1515 41.9759 -1773.0860 -302.3556 0.0000 0.0000 964.0290 273.3509 316.9693 285.2945 285.1065 316.9693 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12850 TCL: Running for 0 steps PRESSURE: 12850 0 0 0 0 0 0 0 0 0 GPRESSURE: 12850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12850 233.6989 719.4976 395.3972 43.3257 -1763.0494 -290.5348 0.0000 0.0000 959.5727 297.9080 315.5040 309.7832 309.8633 315.5040 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12900 TCL: Running for 0 steps PRESSURE: 12900 0 0 0 0 0 0 0 0 0 GPRESSURE: 12900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12900 218.5347 725.8721 375.5662 41.5010 -1756.0906 -284.6960 0.0000 0.0000 968.9104 289.5978 318.5743 301.6370 301.0975 318.5743 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 12950 TCL: Running for 0 steps PRESSURE: 12950 0 0 0 0 0 0 0 0 0 GPRESSURE: 12950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 12950 222.8546 745.3236 387.3850 42.9817 -1799.0290 -280.0256 0.0000 0.0000 960.2381 279.7284 315.7228 291.9360 290.7988 315.7228 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13000 TCL: Running for 0 steps PRESSURE: 13000 0 0 0 0 0 0 0 0 0 GPRESSURE: 13000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13000 239.4152 708.4896 391.4175 39.5718 -1798.5016 -281.7812 0.0000 0.0000 962.1498 260.7613 316.3514 272.6203 272.8611 316.3514 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13050 TCL: Running for 0 steps PRESSURE: 13050 0 0 0 0 0 0 0 0 0 GPRESSURE: 13050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13050 240.7837 705.8985 372.0901 35.3059 -1809.4679 -278.1278 0.0000 0.0000 961.7410 228.2235 316.2170 240.4878 239.1938 316.2170 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13100 TCL: Running for 0 steps PRESSURE: 13100 0 0 0 0 0 0 0 0 0 GPRESSURE: 13100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13100 234.2899 742.9999 399.2205 33.8684 -1789.1117 -288.3528 0.0000 0.0000 960.6963 293.6106 315.8735 306.2276 303.6919 315.8735 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13150 TCL: Running for 0 steps PRESSURE: 13150 0 0 0 0 0 0 0 0 0 GPRESSURE: 13150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13150 231.2089 722.0191 373.2639 43.6298 -1804.6020 -279.8800 0.0000 0.0000 962.9254 248.5651 316.6064 260.8472 259.7259 316.6064 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13200 TCL: Running for 0 steps PRESSURE: 13200 0 0 0 0 0 0 0 0 0 GPRESSURE: 13200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13200 234.7588 744.4670 379.6680 32.4284 -1797.5728 -268.4682 0.0000 0.0000 964.2648 289.5461 317.0468 302.3260 299.4080 317.0468 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13250 TCL: Running for 0 steps PRESSURE: 13250 0 0 0 0 0 0 0 0 0 GPRESSURE: 13250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13250 251.2268 706.3223 390.3154 36.4197 -1784.0121 -295.7738 0.0000 0.0000 969.9213 274.4196 318.9066 286.7428 285.7199 318.9066 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13300 TCL: Running for 0 steps PRESSURE: 13300 0 0 0 0 0 0 0 0 0 GPRESSURE: 13300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13300 251.7429 710.0028 371.3402 41.7261 -1808.7036 -311.2484 0.0000 0.0000 970.5181 225.3783 319.1029 237.5980 237.0268 319.1029 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13350 TCL: Running for 0 steps PRESSURE: 13350 0 0 0 0 0 0 0 0 0 GPRESSURE: 13350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13350 250.8005 728.3279 398.4909 39.3498 -1779.4762 -283.0245 0.0000 0.0000 960.1476 314.6160 315.6931 327.4756 324.5407 315.6931 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13400 TCL: Running for 0 steps PRESSURE: 13400 0 0 0 0 0 0 0 0 0 GPRESSURE: 13400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13400 241.4977 756.2594 387.0682 47.4742 -1806.5645 -317.0482 0.0000 0.0000 966.3415 275.0284 317.7296 287.1679 287.1171 317.7296 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13450 TCL: Running for 0 steps PRESSURE: 13450 0 0 0 0 0 0 0 0 0 GPRESSURE: 13450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13450 258.2446 706.7041 384.4346 43.9233 -1838.8343 -270.3004 0.0000 0.0000 958.6346 242.8065 315.1956 255.4762 253.4400 315.1956 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13500 TCL: Running for 0 steps PRESSURE: 13500 0 0 0 0 0 0 0 0 0 GPRESSURE: 13500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13500 239.9775 722.6960 396.7295 47.1224 -1814.4996 -281.6682 0.0000 0.0000 961.8111 272.1687 316.2400 283.8906 285.5361 316.2400 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13550 TCL: Running for 0 steps PRESSURE: 13550 0 0 0 0 0 0 0 0 0 GPRESSURE: 13550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13550 258.3604 712.4327 382.7327 40.5622 -1791.9735 -311.9178 0.0000 0.0000 967.7286 257.9252 318.1857 270.4250 269.0505 318.1857 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13600 TCL: Running for 0 steps PRESSURE: 13600 0 0 0 0 0 0 0 0 0 GPRESSURE: 13600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13600 232.4800 696.9566 381.8090 39.3077 -1789.8139 -289.1443 0.0000 0.0000 962.9772 234.5723 316.6234 246.2909 247.9318 316.6234 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13650 TCL: Running for 0 steps PRESSURE: 13650 0 0 0 0 0 0 0 0 0 GPRESSURE: 13650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13650 232.7985 710.8093 393.3231 37.5248 -1804.0506 -289.3894 0.0000 0.0000 965.7563 246.7719 317.5372 258.5211 259.9444 317.5372 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13700 TCL: Running for 0 steps PRESSURE: 13700 0 0 0 0 0 0 0 0 0 GPRESSURE: 13700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13700 229.9785 692.5082 412.1831 47.7551 -1790.3860 -289.5537 0.0000 0.0000 962.4425 264.9277 316.4476 276.5691 278.3079 316.4476 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13750 TCL: Running for 0 steps PRESSURE: 13750 0 0 0 0 0 0 0 0 0 GPRESSURE: 13750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13750 224.4320 680.5651 393.5679 36.2684 -1776.4910 -286.5630 0.0000 0.0000 957.7601 229.5394 314.9081 241.0073 243.2883 314.9081 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13800 TCL: Running for 0 steps PRESSURE: 13800 0 0 0 0 0 0 0 0 0 GPRESSURE: 13800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13800 223.1340 668.8379 388.4262 41.3318 -1753.5716 -301.3126 0.0000 0.0000 960.2250 227.0706 315.7185 238.1521 241.7394 315.7185 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13850 TCL: Running for 0 steps PRESSURE: 13850 0 0 0 0 0 0 0 0 0 GPRESSURE: 13850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13850 235.4668 680.0639 390.8080 37.8223 -1806.5536 -284.4440 0.0000 0.0000 958.8423 212.0057 315.2639 223.1624 226.2434 315.2639 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13900 TCL: Running for 0 steps PRESSURE: 13900 0 0 0 0 0 0 0 0 0 GPRESSURE: 13900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13900 245.6282 737.3830 388.2113 40.6086 -1806.0204 -295.6370 0.0000 0.0000 961.2056 271.3793 316.0410 283.7728 282.0230 316.0410 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 13950 TCL: Running for 0 steps PRESSURE: 13950 0 0 0 0 0 0 0 0 0 GPRESSURE: 13950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 13950 204.7345 715.3541 384.4015 43.5213 -1781.7603 -293.9783 0.0000 0.0000 963.2392 235.5121 316.7096 247.0905 248.5072 316.7096 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14000 TCL: Running for 0 steps PRESSURE: 14000 0 0 0 0 0 0 0 0 0 GPRESSURE: 14000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14000 238.1440 734.3364 385.5481 44.0677 -1798.1402 -295.1117 0.0000 0.0000 958.8190 267.6633 315.2562 279.6095 279.5580 315.2562 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14050 TCL: Running for 0 steps PRESSURE: 14050 0 0 0 0 0 0 0 0 0 GPRESSURE: 14050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14050 232.0045 722.4207 394.1216 43.3516 -1781.4012 -294.2783 0.0000 0.0000 966.6779 282.8968 317.8402 295.4290 293.1833 317.8402 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14100 TCL: Running for 0 steps PRESSURE: 14100 0 0 0 0 0 0 0 0 0 GPRESSURE: 14100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14100 265.5823 746.5327 399.1623 35.4939 -1828.6590 -300.3483 0.0000 0.0000 968.1407 285.9046 318.3212 298.2578 296.8237 318.3212 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14150 TCL: Running for 0 steps PRESSURE: 14150 0 0 0 0 0 0 0 0 0 GPRESSURE: 14150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14150 257.4784 721.1106 382.2395 29.7792 -1813.4124 -285.9798 0.0000 0.0000 966.1597 257.3752 317.6698 269.4814 269.0633 317.6698 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14200 TCL: Running for 0 steps PRESSURE: 14200 0 0 0 0 0 0 0 0 0 GPRESSURE: 14200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14200 241.7477 748.6174 389.5953 47.3698 -1827.6371 -286.3466 0.0000 0.0000 959.9175 273.2640 315.6174 285.5696 284.4299 315.6174 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14250 TCL: Running for 0 steps PRESSURE: 14250 0 0 0 0 0 0 0 0 0 GPRESSURE: 14250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14250 232.1123 732.9490 383.8560 38.4259 -1795.5886 -296.6552 0.0000 0.0000 957.5895 252.6889 314.8520 265.0071 263.8910 314.8520 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14300 TCL: Running for 0 steps PRESSURE: 14300 0 0 0 0 0 0 0 0 0 GPRESSURE: 14300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14300 254.4416 728.0146 401.7165 43.1625 -1837.4202 -287.3934 0.0000 0.0000 955.0867 257.6083 314.0291 270.0900 268.4307 314.0291 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14350 TCL: Running for 0 steps PRESSURE: 14350 0 0 0 0 0 0 0 0 0 GPRESSURE: 14350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14350 255.8251 717.4992 395.9602 48.0076 -1846.5751 -305.3208 0.0000 0.0000 965.8676 231.2638 317.5738 242.9078 244.4938 317.5738 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14400 TCL: Running for 0 steps PRESSURE: 14400 0 0 0 0 0 0 0 0 0 GPRESSURE: 14400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14400 233.7540 688.7555 402.5697 34.7489 -1797.8424 -289.3650 0.0000 0.0000 965.2018 237.8224 317.3549 249.5044 250.8486 317.3549 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14450 TCL: Running for 0 steps PRESSURE: 14450 0 0 0 0 0 0 0 0 0 GPRESSURE: 14450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14450 252.3424 727.8981 376.4749 34.2681 -1822.7949 -302.2279 0.0000 0.0000 964.7179 230.6786 317.1958 242.8499 242.2751 317.1958 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14500 TCL: Running for 0 steps PRESSURE: 14500 0 0 0 0 0 0 0 0 0 GPRESSURE: 14500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14500 246.0689 686.6691 393.9022 38.3663 -1807.1140 -296.0529 0.0000 0.0000 963.3683 225.2079 316.7520 237.4302 236.7001 316.7520 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14550 TCL: Running for 0 steps PRESSURE: 14550 0 0 0 0 0 0 0 0 0 GPRESSURE: 14550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14550 236.9585 703.2475 399.9071 38.1738 -1839.2766 -272.9155 0.0000 0.0000 964.6754 230.7704 317.1818 243.3133 241.4266 317.1818 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14600 TCL: Running for 0 steps PRESSURE: 14600 0 0 0 0 0 0 0 0 0 GPRESSURE: 14600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14600 242.6220 746.4764 379.3039 36.1730 -1819.9601 -287.9369 0.0000 0.0000 967.8842 264.5626 318.2368 276.9801 275.6817 318.2368 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14650 TCL: Running for 0 steps PRESSURE: 14650 0 0 0 0 0 0 0 0 0 GPRESSURE: 14650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14650 219.8033 740.2784 399.5019 39.1838 -1851.9364 -281.3726 0.0000 0.0000 966.7492 232.2076 317.8637 243.9904 245.1531 317.8637 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14700 TCL: Running for 0 steps PRESSURE: 14700 0 0 0 0 0 0 0 0 0 GPRESSURE: 14700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14700 246.5863 724.6153 386.7790 36.1361 -1850.0478 -285.8945 0.0000 0.0000 958.3796 216.5540 315.1118 229.0666 227.4201 315.1118 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14750 TCL: Running for 0 steps PRESSURE: 14750 0 0 0 0 0 0 0 0 0 GPRESSURE: 14750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14750 250.2099 730.2677 388.5308 38.7562 -1825.0770 -319.6934 0.0000 0.0000 963.2687 226.2630 316.7193 238.5011 237.9869 316.7193 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14800 TCL: Running for 0 steps PRESSURE: 14800 0 0 0 0 0 0 0 0 0 GPRESSURE: 14800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14800 241.2881 713.0668 391.0513 49.0140 -1830.0579 -294.2064 0.0000 0.0000 963.5815 233.7373 316.8221 245.7846 246.0179 316.8221 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14850 TCL: Running for 0 steps PRESSURE: 14850 0 0 0 0 0 0 0 0 0 GPRESSURE: 14850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14850 249.9044 754.6026 391.7097 38.0902 -1850.2269 -297.5741 0.0000 0.0000 960.4933 246.9993 315.8067 259.2310 258.7581 315.8067 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14900 TCL: Running for 0 steps PRESSURE: 14900 0 0 0 0 0 0 0 0 0 GPRESSURE: 14900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14900 230.6238 727.2889 397.0895 44.1769 -1829.5131 -297.5448 0.0000 0.0000 959.7422 231.8635 315.5598 243.7936 244.4816 315.5598 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 14950 TCL: Running for 0 steps PRESSURE: 14950 0 0 0 0 0 0 0 0 0 GPRESSURE: 14950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 14950 241.2600 733.3929 398.5988 42.2110 -1821.9895 -317.1853 0.0000 0.0000 960.3909 236.6789 315.7731 249.5052 246.7890 315.7731 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15000 TCL: Running for 0 steps PRESSURE: 15000 0 0 0 0 0 0 0 0 0 GPRESSURE: 15000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15000 256.7245 741.2594 396.0429 35.3720 -1839.8506 -302.0390 0.0000 0.0000 964.4720 251.9812 317.1149 264.1703 264.0136 317.1149 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15050 TCL: Running for 0 steps PRESSURE: 15050 0 0 0 0 0 0 0 0 0 GPRESSURE: 15050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15050 248.5813 727.9934 394.3918 40.4401 -1825.7027 -294.6725 0.0000 0.0000 964.0943 255.1256 316.9907 267.9126 265.5238 316.9907 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15100 TCL: Running for 0 steps PRESSURE: 15100 0 0 0 0 0 0 0 0 0 GPRESSURE: 15100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15100 243.4191 717.2927 395.1362 35.6669 -1835.6272 -282.4321 0.0000 0.0000 963.7585 237.2141 316.8803 249.4572 249.2573 316.8803 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15150 TCL: Running for 0 steps PRESSURE: 15150 0 0 0 0 0 0 0 0 0 GPRESSURE: 15150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15150 260.9751 732.9245 403.0869 42.4745 -1856.6787 -277.0899 0.0000 0.0000 956.6089 262.3013 314.5295 275.1992 272.5563 314.5295 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15200 TCL: Running for 0 steps PRESSURE: 15200 0 0 0 0 0 0 0 0 0 GPRESSURE: 15200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15200 253.5458 754.8689 397.7261 41.2917 -1865.4454 -302.5731 0.0000 0.0000 956.7112 236.1252 314.5632 248.7686 247.2450 314.5632 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15250 TCL: Running for 0 steps PRESSURE: 15250 0 0 0 0 0 0 0 0 0 GPRESSURE: 15250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15250 231.1994 730.6222 386.2742 33.2966 -1869.8011 -267.4112 0.0000 0.0000 959.0951 203.2751 315.3470 215.6694 215.1753 315.3470 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15300 TCL: Running for 0 steps PRESSURE: 15300 0 0 0 0 0 0 0 0 0 GPRESSURE: 15300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15300 229.5406 729.4410 388.4128 42.1705 -1810.9491 -281.9115 0.0000 0.0000 960.4752 257.1794 315.8008 269.9670 268.0288 315.8008 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15350 TCL: Running for 0 steps PRESSURE: 15350 0 0 0 0 0 0 0 0 0 GPRESSURE: 15350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15350 263.4440 676.9559 389.1768 43.8644 -1827.2702 -274.6821 0.0000 0.0000 954.8922 226.3810 313.9651 239.0009 237.8126 313.9651 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15400 TCL: Running for 0 steps PRESSURE: 15400 0 0 0 0 0 0 0 0 0 GPRESSURE: 15400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15400 220.6321 762.0272 386.3014 40.5472 -1862.4349 -290.9481 0.0000 0.0000 961.1314 217.2562 316.0165 229.8283 228.8938 316.0165 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15450 TCL: Running for 0 steps PRESSURE: 15450 0 0 0 0 0 0 0 0 0 GPRESSURE: 15450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15450 270.7046 702.1617 388.6731 42.2596 -1856.1346 -283.6649 0.0000 0.0000 956.3531 220.3527 314.4455 233.3060 231.0004 314.4455 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15500 TCL: Running for 0 steps PRESSURE: 15500 0 0 0 0 0 0 0 0 0 GPRESSURE: 15500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15500 238.8604 739.2300 392.5469 41.7335 -1874.1302 -297.8409 0.0000 0.0000 953.7067 194.1064 313.5753 206.5016 206.4330 313.5753 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15550 TCL: Running for 0 steps PRESSURE: 15550 0 0 0 0 0 0 0 0 0 GPRESSURE: 15550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15550 247.4451 712.0903 386.1578 47.8767 -1845.7153 -286.4178 0.0000 0.0000 957.2432 218.6800 314.7381 230.9324 231.4034 314.7381 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15600 TCL: Running for 0 steps PRESSURE: 15600 0 0 0 0 0 0 0 0 0 GPRESSURE: 15600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15600 245.4778 752.3019 379.9326 35.9602 -1840.8776 -286.3877 0.0000 0.0000 958.9508 245.3580 315.2996 258.0518 256.8380 315.2996 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15650 TCL: Running for 0 steps PRESSURE: 15650 0 0 0 0 0 0 0 0 0 GPRESSURE: 15650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15650 239.2096 723.8093 374.6601 47.3487 -1811.9775 -288.0905 0.0000 0.0000 957.3442 242.3039 314.7713 254.3318 255.6912 314.7713 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15700 TCL: Running for 0 steps PRESSURE: 15700 0 0 0 0 0 0 0 0 0 GPRESSURE: 15700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15700 228.8862 735.8263 383.4483 34.0561 -1822.0908 -294.6857 0.0000 0.0000 963.8959 229.3363 316.9255 241.7972 241.4478 316.9255 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15750 TCL: Running for 0 steps PRESSURE: 15750 0 0 0 0 0 0 0 0 0 GPRESSURE: 15750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15750 219.5648 729.9682 386.1720 48.3007 -1835.5661 -282.5689 0.0000 0.0000 962.2499 228.1206 316.3843 239.8871 242.1637 316.3843 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15800 TCL: Running for 0 steps PRESSURE: 15800 0 0 0 0 0 0 0 0 0 GPRESSURE: 15800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15800 221.2584 738.5888 397.7990 46.9004 -1833.7674 -299.0992 0.0000 0.0000 953.3174 224.9974 313.4473 237.2076 237.6780 313.4473 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15850 TCL: Running for 0 steps PRESSURE: 15850 0 0 0 0 0 0 0 0 0 GPRESSURE: 15850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15850 250.1176 703.2260 391.4570 33.6299 -1840.4169 -285.4611 0.0000 0.0000 952.6117 205.1643 313.2153 217.1029 218.5621 313.2153 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15900 TCL: Running for 0 steps PRESSURE: 15900 0 0 0 0 0 0 0 0 0 GPRESSURE: 15900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15900 247.6041 714.9952 383.7680 40.8366 -1847.6581 -307.3196 0.0000 0.0000 960.3906 192.6168 315.7730 204.2804 206.6798 315.7730 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 15950 TCL: Running for 0 steps PRESSURE: 15950 0 0 0 0 0 0 0 0 0 GPRESSURE: 15950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 15950 214.5726 761.6856 389.0509 40.9031 -1834.8714 -306.3455 0.0000 0.0000 956.8602 221.8556 314.6122 233.3309 236.2863 314.6122 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16000 TCL: Running for 0 steps PRESSURE: 16000 0 0 0 0 0 0 0 0 0 GPRESSURE: 16000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16000 227.2438 725.0853 384.7979 52.0521 -1807.8115 -301.6296 0.0000 0.0000 952.0833 231.8213 313.0416 243.7780 244.7436 313.0416 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16050 TCL: Running for 0 steps PRESSURE: 16050 0 0 0 0 0 0 0 0 0 GPRESSURE: 16050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16050 253.0246 713.6892 380.9308 44.1766 -1829.4400 -288.7924 0.0000 0.0000 956.3393 229.9281 314.4409 242.0552 242.3214 314.4409 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16100 TCL: Running for 0 steps PRESSURE: 16100 0 0 0 0 0 0 0 0 0 GPRESSURE: 16100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16100 231.6767 671.9147 384.6766 35.9998 -1837.9570 -293.4214 0.0000 0.0000 958.3037 151.1933 315.0868 162.6835 165.3215 315.0868 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16150 TCL: Running for 0 steps PRESSURE: 16150 0 0 0 0 0 0 0 0 0 GPRESSURE: 16150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16150 231.7955 717.1843 389.0949 37.0684 -1808.7968 -315.7479 0.0000 0.0000 953.7085 204.3069 313.5759 216.2479 217.0306 313.5759 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16200 TCL: Running for 0 steps PRESSURE: 16200 0 0 0 0 0 0 0 0 0 GPRESSURE: 16200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16200 236.0278 704.3409 375.4954 41.1024 -1872.1702 -270.0393 0.0000 0.0000 951.0900 165.8470 312.7150 178.0115 177.9073 312.7150 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16250 TCL: Running for 0 steps PRESSURE: 16250 0 0 0 0 0 0 0 0 0 GPRESSURE: 16250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16250 240.6709 712.5428 396.0216 33.9138 -1834.4658 -275.6596 0.0000 0.0000 953.8551 226.8788 313.6241 239.0504 238.9260 313.6241 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16300 TCL: Running for 0 steps PRESSURE: 16300 0 0 0 0 0 0 0 0 0 GPRESSURE: 16300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16300 253.2966 756.6971 387.1472 36.7129 -1824.7756 -293.7922 0.0000 0.0000 954.1406 269.4266 313.7180 282.4447 279.1535 313.7180 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16350 TCL: Running for 0 steps PRESSURE: 16350 0 0 0 0 0 0 0 0 0 GPRESSURE: 16350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16350 250.9023 718.7159 392.9238 36.8291 -1812.6189 -293.9776 0.0000 0.0000 949.9944 242.7691 312.3548 255.0005 254.8651 312.3548 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16400 TCL: Running for 0 steps PRESSURE: 16400 0 0 0 0 0 0 0 0 0 GPRESSURE: 16400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16400 222.8601 710.1751 384.8153 41.7143 -1798.9298 -308.7071 0.0000 0.0000 956.2266 208.1546 314.4039 220.0269 221.2468 314.4039 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16450 TCL: Running for 0 steps PRESSURE: 16450 0 0 0 0 0 0 0 0 0 GPRESSURE: 16450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16450 248.2095 712.4141 391.0597 42.6471 -1778.7783 -313.8305 0.0000 0.0000 958.5087 260.2303 315.1542 272.1774 273.0404 315.1542 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16500 TCL: Running for 0 steps PRESSURE: 16500 0 0 0 0 0 0 0 0 0 GPRESSURE: 16500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16500 245.5067 709.1553 383.2739 41.3853 -1819.4636 -297.0067 0.0000 0.0000 949.6060 212.4570 312.2270 224.4640 225.0484 312.2270 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16550 TCL: Running for 0 steps PRESSURE: 16550 0 0 0 0 0 0 0 0 0 GPRESSURE: 16550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16550 237.9545 740.3318 385.7564 41.4456 -1804.7102 -293.5306 0.0000 0.0000 952.4925 259.7401 313.1761 272.0830 271.3714 313.1761 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16600 TCL: Running for 0 steps PRESSURE: 16600 0 0 0 0 0 0 0 0 0 GPRESSURE: 16600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16600 231.5957 713.8753 382.1177 40.6108 -1803.8564 -294.8724 0.0000 0.0000 959.4299 228.9007 315.4571 240.2475 243.3157 315.4571 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16650 TCL: Running for 0 steps PRESSURE: 16650 0 0 0 0 0 0 0 0 0 GPRESSURE: 16650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16650 239.4698 758.7841 388.3343 39.6050 -1840.4911 -290.5192 0.0000 0.0000 951.8486 247.0314 312.9644 259.4796 258.2257 312.9644 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16700 TCL: Running for 0 steps PRESSURE: 16700 0 0 0 0 0 0 0 0 0 GPRESSURE: 16700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16700 242.8737 743.7662 385.5094 34.3135 -1823.2452 -308.4480 0.0000 0.0000 957.6964 232.4659 314.8871 244.4308 245.0678 314.8871 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16750 TCL: Running for 0 steps PRESSURE: 16750 0 0 0 0 0 0 0 0 0 GPRESSURE: 16750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16750 237.1776 698.1264 392.9329 41.1001 -1812.0032 -298.2407 0.0000 0.0000 956.9348 216.0279 314.6367 227.6851 229.4363 314.6367 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16800 TCL: Running for 0 steps PRESSURE: 16800 0 0 0 0 0 0 0 0 0 GPRESSURE: 16800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16800 246.1127 701.7698 394.0824 48.4029 -1794.5634 -302.8695 0.0000 0.0000 951.0766 244.0114 312.7105 255.9471 256.5443 312.7105 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16850 TCL: Running for 0 steps PRESSURE: 16850 0 0 0 0 0 0 0 0 0 GPRESSURE: 16850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16850 237.9088 692.9859 380.4477 37.6891 -1771.6039 -317.3796 0.0000 0.0000 958.2080 218.2560 315.0553 230.3669 230.2698 315.0553 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16900 TCL: Running for 0 steps PRESSURE: 16900 0 0 0 0 0 0 0 0 0 GPRESSURE: 16900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16900 232.2016 684.4313 384.4774 39.1347 -1783.1020 -292.8292 0.0000 0.0000 955.6432 219.9570 314.2120 232.1672 231.7036 314.2120 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 16950 TCL: Running for 0 steps PRESSURE: 16950 0 0 0 0 0 0 0 0 0 GPRESSURE: 16950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 16950 228.3231 692.6249 383.9678 42.3019 -1814.2106 -275.4134 0.0000 0.0000 959.5324 217.1262 315.4908 228.6533 230.7803 315.4908 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17000 TCL: Running for 0 steps PRESSURE: 17000 0 0 0 0 0 0 0 0 0 GPRESSURE: 17000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17000 244.6633 745.1282 381.6981 40.6558 -1814.3192 -304.5401 0.0000 0.0000 956.5708 249.8568 314.5170 262.3859 260.6227 314.5170 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17050 TCL: Running for 0 steps PRESSURE: 17050 0 0 0 0 0 0 0 0 0 GPRESSURE: 17050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17050 210.3277 722.4493 388.8500 47.9001 -1824.1253 -298.7174 0.0000 0.0000 957.7540 204.4384 314.9061 216.2046 217.4123 314.9061 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17100 TCL: Running for 0 steps PRESSURE: 17100 0 0 0 0 0 0 0 0 0 GPRESSURE: 17100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17100 241.3503 720.0337 384.0802 40.3500 -1783.0826 -318.5912 0.0000 0.0000 957.5511 241.6914 314.8394 254.1948 252.5627 314.8394 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17150 TCL: Running for 0 steps PRESSURE: 17150 0 0 0 0 0 0 0 0 0 GPRESSURE: 17150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17150 226.7663 723.4681 394.6011 50.3992 -1817.3978 -303.8091 0.0000 0.0000 954.5583 228.5860 313.8553 240.7110 240.6000 313.8553 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17200 TCL: Running for 0 steps PRESSURE: 17200 0 0 0 0 0 0 0 0 0 GPRESSURE: 17200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17200 229.1996 736.4977 383.8328 46.1449 -1813.2541 -281.1024 0.0000 0.0000 957.1436 258.4622 314.7054 270.7933 269.9161 314.7054 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17250 TCL: Running for 0 steps PRESSURE: 17250 0 0 0 0 0 0 0 0 0 GPRESSURE: 17250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17250 250.8437 730.7691 386.7308 34.6725 -1808.5011 -301.2637 0.0000 0.0000 955.2635 248.5149 314.0872 260.8518 260.0078 314.0872 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17300 TCL: Running for 0 steps PRESSURE: 17300 0 0 0 0 0 0 0 0 0 GPRESSURE: 17300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17300 230.8507 744.7086 383.2182 40.1091 -1813.6358 -297.3190 0.0000 0.0000 956.3488 244.2805 314.4440 256.3325 256.6099 314.4440 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17350 TCL: Running for 0 steps PRESSURE: 17350 0 0 0 0 0 0 0 0 0 GPRESSURE: 17350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17350 214.5277 737.5566 397.3015 41.8149 -1797.9574 -297.7384 0.0000 0.0000 956.6463 252.1513 314.5419 264.5274 263.5717 314.5419 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17400 TCL: Running for 0 steps PRESSURE: 17400 0 0 0 0 0 0 0 0 0 GPRESSURE: 17400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17400 242.2684 720.0809 402.6172 43.5633 -1830.5295 -282.3649 0.0000 0.0000 957.7643 253.3998 314.9094 265.8963 264.5490 314.9094 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17450 TCL: Running for 0 steps PRESSURE: 17450 0 0 0 0 0 0 0 0 0 GPRESSURE: 17450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17450 224.7257 697.7585 396.6289 46.7223 -1807.9429 -280.3254 0.0000 0.0000 962.6113 240.1783 316.5031 252.0112 253.2364 316.5031 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17500 TCL: Running for 0 steps PRESSURE: 17500 0 0 0 0 0 0 0 0 0 GPRESSURE: 17500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17500 239.3470 704.6754 394.3919 34.0356 -1849.0158 -261.6749 0.0000 0.0000 953.0029 214.7621 313.3439 226.8894 226.9342 313.3439 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17550 TCL: Running for 0 steps PRESSURE: 17550 0 0 0 0 0 0 0 0 0 GPRESSURE: 17550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17550 237.4566 678.3468 383.3598 37.6641 -1813.1322 -299.1014 0.0000 0.0000 951.0480 175.6417 312.7012 187.0891 189.6806 312.7012 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17600 TCL: Running for 0 steps PRESSURE: 17600 0 0 0 0 0 0 0 0 0 GPRESSURE: 17600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17600 249.4387 701.2756 386.6290 36.5369 -1823.7222 -285.9255 0.0000 0.0000 959.4249 223.6575 315.4555 235.7284 235.8199 315.4555 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17650 TCL: Running for 0 steps PRESSURE: 17650 0 0 0 0 0 0 0 0 0 GPRESSURE: 17650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17650 248.6946 689.1154 399.7982 37.0679 -1768.9686 -297.5859 0.0000 0.0000 954.3168 262.4383 313.7759 275.2696 272.5038 313.7759 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17700 TCL: Running for 0 steps PRESSURE: 17700 0 0 0 0 0 0 0 0 0 GPRESSURE: 17700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17700 222.0873 707.5501 403.3588 38.9970 -1764.9469 -326.2084 0.0000 0.0000 955.4082 236.2462 314.1348 247.9677 249.5366 314.1348 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17750 TCL: Running for 0 steps PRESSURE: 17750 0 0 0 0 0 0 0 0 0 GPRESSURE: 17750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17750 239.3069 727.2300 390.8992 47.8008 -1808.6074 -284.3940 0.0000 0.0000 955.7724 268.0079 314.2545 280.0514 280.3146 314.2545 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17800 TCL: Running for 0 steps PRESSURE: 17800 0 0 0 0 0 0 0 0 0 GPRESSURE: 17800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17800 260.2402 720.4533 403.1888 46.8479 -1832.8339 -280.7603 0.0000 0.0000 947.8152 264.9512 311.6382 277.3257 276.3314 311.6382 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17850 TCL: Running for 0 steps PRESSURE: 17850 0 0 0 0 0 0 0 0 0 GPRESSURE: 17850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17850 230.4460 724.6776 394.9618 45.4685 -1827.7937 -286.6270 0.0000 0.0000 951.5712 232.7044 312.8732 244.6126 245.4287 312.8732 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17900 TCL: Running for 0 steps PRESSURE: 17900 0 0 0 0 0 0 0 0 0 GPRESSURE: 17900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17900 251.7299 720.4020 389.2259 45.5756 -1812.4364 -294.8505 0.0000 0.0000 957.0736 256.7202 314.6824 269.1494 267.9610 314.6824 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 17950 TCL: Running for 0 steps PRESSURE: 17950 0 0 0 0 0 0 0 0 0 GPRESSURE: 17950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 17950 232.6907 724.1093 397.9491 40.2708 -1778.1472 -314.7438 0.0000 0.0000 948.1658 250.2946 311.7535 262.3294 262.6943 311.7535 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18000 TCL: Running for 0 steps PRESSURE: 18000 0 0 0 0 0 0 0 0 0 GPRESSURE: 18000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18000 255.3273 728.7800 382.2884 43.8168 -1809.7171 -283.3587 0.0000 0.0000 945.7279 262.8647 310.9519 275.3976 273.8718 310.9519 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18050 TCL: Running for 0 steps PRESSURE: 18050 0 0 0 0 0 0 0 0 0 GPRESSURE: 18050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18050 248.9718 712.0715 379.5457 43.0466 -1812.7845 -292.7649 0.0000 0.0000 950.4873 228.5734 312.5168 240.7278 240.7170 312.5168 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18100 TCL: Running for 0 steps PRESSURE: 18100 0 0 0 0 0 0 0 0 0 GPRESSURE: 18100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18100 233.9656 691.4963 389.2978 46.2288 -1780.4167 -295.0866 0.0000 0.0000 953.5128 238.9980 313.5116 250.8738 251.9083 313.5116 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18150 TCL: Running for 0 steps PRESSURE: 18150 0 0 0 0 0 0 0 0 0 GPRESSURE: 18150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18150 241.7075 719.8374 386.7403 37.8707 -1817.6541 -309.2926 0.0000 0.0000 952.1014 211.3106 313.0475 223.1480 224.2617 313.0475 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18200 TCL: Running for 0 steps PRESSURE: 18200 0 0 0 0 0 0 0 0 0 GPRESSURE: 18200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18200 246.6203 692.8547 393.9649 45.1117 -1847.3809 -302.8550 0.0000 0.0000 952.4283 180.7440 313.1550 192.3755 194.1917 313.1550 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18250 TCL: Running for 0 steps PRESSURE: 18250 0 0 0 0 0 0 0 0 0 GPRESSURE: 18250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18250 255.1241 708.8888 386.5988 40.7539 -1869.0971 -272.5434 0.0000 0.0000 950.7738 200.4990 312.6110 212.7002 212.2665 312.6110 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18300 TCL: Running for 0 steps PRESSURE: 18300 0 0 0 0 0 0 0 0 0 GPRESSURE: 18300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18300 255.7875 673.5615 408.0461 41.8406 -1822.0410 -271.4109 0.0000 0.0000 948.0281 233.8120 311.7082 245.8114 246.1615 311.7082 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18350 TCL: Running for 0 steps PRESSURE: 18350 0 0 0 0 0 0 0 0 0 GPRESSURE: 18350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18350 242.6991 703.6960 393.2367 39.3855 -1796.2361 -283.9062 0.0000 0.0000 949.3270 248.2020 312.1353 260.3074 260.2382 312.1353 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18400 TCL: Running for 0 steps PRESSURE: 18400 0 0 0 0 0 0 0 0 0 GPRESSURE: 18400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18400 239.2062 748.7805 383.5669 37.7340 -1859.9953 -308.8801 0.0000 0.0000 952.2961 192.7083 313.1115 205.1270 203.8872 313.1115 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18450 TCL: Running for 0 steps PRESSURE: 18450 0 0 0 0 0 0 0 0 0 GPRESSURE: 18450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18450 242.9171 697.7881 398.1045 34.7839 -1865.7381 -275.5544 0.0000 0.0000 952.2093 184.5103 313.0830 196.2591 197.6090 313.0830 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18500 TCL: Running for 0 steps PRESSURE: 18500 0 0 0 0 0 0 0 0 0 GPRESSURE: 18500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18500 212.8979 744.0084 393.4132 39.9681 -1843.0975 -254.0413 0.0000 0.0000 953.6371 246.7858 313.5524 258.8653 258.8908 313.5524 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18550 TCL: Running for 0 steps PRESSURE: 18550 0 0 0 0 0 0 0 0 0 GPRESSURE: 18550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18550 261.9042 746.6351 381.2224 39.0781 -1836.0091 -283.7591 0.0000 0.0000 948.6756 257.7471 311.9211 270.0155 269.3307 311.9211 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18600 TCL: Running for 0 steps PRESSURE: 18600 0 0 0 0 0 0 0 0 0 GPRESSURE: 18600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18600 250.9764 711.0733 384.1677 36.0543 -1827.9405 -276.3054 0.0000 0.0000 949.2069 227.2328 312.0958 239.5657 238.6820 312.0958 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18650 TCL: Running for 0 steps PRESSURE: 18650 0 0 0 0 0 0 0 0 0 GPRESSURE: 18650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18650 241.6313 748.9257 407.0756 49.4818 -1845.2156 -266.8372 0.0000 0.0000 947.4669 282.5285 311.5237 295.7367 291.6262 311.5237 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18700 TCL: Running for 0 steps PRESSURE: 18700 0 0 0 0 0 0 0 0 0 GPRESSURE: 18700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18700 261.8048 739.2616 395.4408 40.8365 -1847.2880 -307.4644 0.0000 0.0000 948.1517 230.7430 311.7489 243.3010 241.8853 311.7489 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18750 TCL: Running for 0 steps PRESSURE: 18750 0 0 0 0 0 0 0 0 0 GPRESSURE: 18750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18750 232.2966 708.5335 393.2590 52.0784 -1813.0588 -297.3092 0.0000 0.0000 948.3375 224.1368 311.8099 236.4171 236.1314 311.8099 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18800 TCL: Running for 0 steps PRESSURE: 18800 0 0 0 0 0 0 0 0 0 GPRESSURE: 18800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18800 239.4991 760.6495 396.1906 41.3643 -1848.6457 -290.2472 0.0000 0.0000 946.6329 245.4436 311.2495 257.8367 257.1460 311.2495 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18850 TCL: Running for 0 steps PRESSURE: 18850 0 0 0 0 0 0 0 0 0 GPRESSURE: 18850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18850 244.8330 743.5824 406.5829 36.6918 -1872.2397 -279.0431 0.0000 0.0000 941.9852 222.3924 309.7213 234.3650 235.2940 309.7213 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18900 TCL: Running for 0 steps PRESSURE: 18900 0 0 0 0 0 0 0 0 0 GPRESSURE: 18900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18900 228.2542 750.7191 401.3287 39.1767 -1802.5763 -306.1155 0.0000 0.0000 953.5660 264.3530 313.5291 276.2925 277.2875 313.5291 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 18950 TCL: Running for 0 steps PRESSURE: 18950 0 0 0 0 0 0 0 0 0 GPRESSURE: 18950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 18950 221.9156 737.2281 392.8982 39.6033 -1835.7015 -281.7863 0.0000 0.0000 954.7695 228.9268 313.9248 241.2057 240.8658 313.9248 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19000 TCL: Running for 0 steps PRESSURE: 19000 0 0 0 0 0 0 0 0 0 GPRESSURE: 19000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19000 245.8093 689.6367 398.9690 43.5153 -1852.8538 -278.4895 0.0000 0.0000 945.0012 191.5883 310.7130 203.0929 205.6780 310.7130 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19050 TCL: Running for 0 steps PRESSURE: 19050 0 0 0 0 0 0 0 0 0 GPRESSURE: 19050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19050 226.2555 696.3832 388.6712 36.7150 -1843.3545 -271.3090 0.0000 0.0000 955.1424 188.5037 314.0474 200.4426 201.2376 314.0474 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19100 TCL: Running for 0 steps PRESSURE: 19100 0 0 0 0 0 0 0 0 0 GPRESSURE: 19100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19100 238.0199 702.5568 392.8169 39.8383 -1835.9216 -297.6610 0.0000 0.0000 946.2590 185.9082 311.1266 197.8753 198.5150 311.1266 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19150 TCL: Running for 0 steps PRESSURE: 19150 0 0 0 0 0 0 0 0 0 GPRESSURE: 19150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19150 252.6563 707.7310 381.1820 34.2028 -1860.2932 -289.3158 0.0000 0.0000 947.4486 173.6115 311.5177 185.3010 186.9416 311.5177 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19200 TCL: Running for 0 steps PRESSURE: 19200 0 0 0 0 0 0 0 0 0 GPRESSURE: 19200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19200 252.4249 696.8483 389.8074 46.0271 -1865.3556 -307.5523 0.0000 0.0000 949.1513 161.3511 312.0775 173.1540 174.2668 312.0775 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19250 TCL: Running for 0 steps PRESSURE: 19250 0 0 0 0 0 0 0 0 0 GPRESSURE: 19250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19250 225.4085 701.6555 392.0548 48.2060 -1811.9676 -290.6509 0.0000 0.0000 943.7906 208.4968 310.3149 220.3658 221.1611 310.3149 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19300 TCL: Running for 0 steps PRESSURE: 19300 0 0 0 0 0 0 0 0 0 GPRESSURE: 19300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19300 224.0094 715.6481 406.8882 47.2616 -1816.1965 -295.8201 0.0000 0.0000 946.7069 228.4974 311.2738 240.8911 239.6692 311.2738 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19350 TCL: Running for 0 steps PRESSURE: 19350 0 0 0 0 0 0 0 0 0 GPRESSURE: 19350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19350 237.2451 675.7022 399.4937 35.8787 -1852.0138 -257.8096 0.0000 0.0000 949.4870 187.9834 312.1879 199.6883 201.1255 312.1879 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19400 TCL: Running for 0 steps PRESSURE: 19400 0 0 0 0 0 0 0 0 0 GPRESSURE: 19400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19400 242.8928 688.4978 398.1135 42.5610 -1819.8673 -313.8848 0.0000 0.0000 948.4105 186.7235 311.8340 198.3967 199.8632 311.8340 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19450 TCL: Running for 0 steps PRESSURE: 19450 0 0 0 0 0 0 0 0 0 GPRESSURE: 19450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19450 230.3317 738.0486 397.0594 41.7159 -1879.3344 -270.1419 0.0000 0.0000 948.0687 205.7480 311.7216 217.7453 217.9048 311.7216 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19500 TCL: Running for 0 steps PRESSURE: 19500 0 0 0 0 0 0 0 0 0 GPRESSURE: 19500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19500 211.2694 688.5384 381.2702 41.4696 -1814.4449 -271.3034 0.0000 0.0000 951.9835 188.7829 313.0088 200.6207 201.3684 313.0088 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19550 TCL: Running for 0 steps PRESSURE: 19550 0 0 0 0 0 0 0 0 0 GPRESSURE: 19550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19550 243.0437 689.0241 386.2507 37.9804 -1817.5728 -307.5505 0.0000 0.0000 948.7347 179.9105 311.9406 191.6207 192.7998 311.9406 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19600 TCL: Running for 0 steps PRESSURE: 19600 0 0 0 0 0 0 0 0 0 GPRESSURE: 19600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19600 224.1293 726.0210 387.0758 36.0277 -1847.7603 -302.5247 0.0000 0.0000 948.4538 171.4227 311.8482 183.3210 183.7213 311.8482 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19650 TCL: Running for 0 steps PRESSURE: 19650 0 0 0 0 0 0 0 0 0 GPRESSURE: 19650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19650 228.6575 716.5793 385.8583 37.0691 -1840.2947 -293.1397 0.0000 0.0000 951.6900 186.4197 312.9122 198.1850 199.0588 312.9122 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19700 TCL: Running for 0 steps PRESSURE: 19700 0 0 0 0 0 0 0 0 0 GPRESSURE: 19700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19700 240.1244 706.7392 394.4639 44.8178 -1815.3362 -292.8194 0.0000 0.0000 953.7277 231.7175 313.5822 243.7441 243.5835 313.5822 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19750 TCL: Running for 0 steps PRESSURE: 19750 0 0 0 0 0 0 0 0 0 GPRESSURE: 19750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19750 222.7405 728.4520 399.3008 39.8721 -1835.8421 -298.1952 0.0000 0.0000 947.4510 203.7792 311.5185 215.4131 216.7354 311.5185 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19800 TCL: Running for 0 steps PRESSURE: 19800 0 0 0 0 0 0 0 0 0 GPRESSURE: 19800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19800 238.2348 728.3711 395.9799 52.3684 -1819.5058 -283.7939 0.0000 0.0000 945.3411 256.9957 310.8248 269.2128 268.2652 310.8248 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19850 TCL: Running for 0 steps PRESSURE: 19850 0 0 0 0 0 0 0 0 0 GPRESSURE: 19850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19850 242.1268 740.1359 403.7422 43.9136 -1812.4333 -316.4467 0.0000 0.0000 951.5325 252.5710 312.8605 264.8869 263.6279 312.8605 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19900 TCL: Running for 0 steps PRESSURE: 19900 0 0 0 0 0 0 0 0 0 GPRESSURE: 19900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19900 233.0661 692.0255 390.3138 39.1280 -1785.3300 -282.5115 0.0000 0.0000 954.9452 241.6370 313.9825 253.2832 254.6144 313.9825 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 19950 TCL: Running for 0 steps PRESSURE: 19950 0 0 0 0 0 0 0 0 0 GPRESSURE: 19950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 19950 237.2669 727.4458 388.0720 32.9225 -1819.2445 -299.1504 0.0000 0.0000 949.4861 216.7983 312.1876 228.3578 229.9310 312.1876 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20000 TCL: Running for 0 steps PRESSURE: 20000 0 0 0 0 0 0 0 0 0 GPRESSURE: 20000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20000 215.9658 751.7694 384.4424 40.4633 -1784.9825 -305.9433 0.0000 0.0000 950.4316 252.1467 312.4985 264.0926 264.1185 312.4985 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20050 TCL: Running for 0 steps PRESSURE: 20050 0 0 0 0 0 0 0 0 0 GPRESSURE: 20050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20050 241.5781 707.7711 395.3691 44.6990 -1785.0236 -289.2756 0.0000 0.0000 951.4138 266.5317 312.8214 278.3282 278.9126 312.8214 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20100 TCL: Running for 0 steps PRESSURE: 20100 0 0 0 0 0 0 0 0 0 GPRESSURE: 20100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20100 235.7396 745.8265 376.9886 38.5903 -1765.1548 -296.6464 0.0000 0.0000 957.2056 292.5494 314.7257 305.4151 301.9536 314.7257 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20150 TCL: Running for 0 steps PRESSURE: 20150 0 0 0 0 0 0 0 0 0 GPRESSURE: 20150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20150 241.2632 721.0973 400.8451 41.3534 -1787.1300 -292.3366 0.0000 0.0000 953.5991 278.6915 313.5399 291.5615 288.3000 313.5399 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20200 TCL: Running for 0 steps PRESSURE: 20200 0 0 0 0 0 0 0 0 0 GPRESSURE: 20200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20200 236.3015 715.2600 381.9947 38.7941 -1814.8979 -282.0932 0.0000 0.0000 956.7278 232.0871 314.5687 244.1398 244.1473 314.5687 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20250 TCL: Running for 0 steps PRESSURE: 20250 0 0 0 0 0 0 0 0 0 GPRESSURE: 20250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20250 253.6292 717.4085 367.3350 41.4236 -1812.5214 -285.5973 0.0000 0.0000 955.9534 237.6310 314.3140 249.6449 249.7974 314.3140 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20300 TCL: Running for 0 steps PRESSURE: 20300 0 0 0 0 0 0 0 0 0 GPRESSURE: 20300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20300 251.9917 706.7905 390.5972 33.5464 -1810.8658 -295.1109 0.0000 0.0000 952.2806 229.2298 313.1064 241.4900 240.7093 313.1064 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20350 TCL: Running for 0 steps PRESSURE: 20350 0 0 0 0 0 0 0 0 0 GPRESSURE: 20350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20350 235.6083 742.2517 385.6206 39.5874 -1789.4121 -287.1293 0.0000 0.0000 953.2348 279.7614 313.4202 291.7137 292.1363 313.4202 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20400 TCL: Running for 0 steps PRESSURE: 20400 0 0 0 0 0 0 0 0 0 GPRESSURE: 20400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20400 229.3230 684.6562 389.6644 40.6995 -1803.3672 -280.9034 0.0000 0.0000 952.4740 212.5466 313.1700 223.8244 226.7499 313.1700 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20450 TCL: Running for 0 steps PRESSURE: 20450 0 0 0 0 0 0 0 0 0 GPRESSURE: 20450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20450 240.4930 708.7513 380.6055 41.6428 -1833.3226 -298.3222 0.0000 0.0000 956.0860 195.9338 314.3576 207.7763 208.4013 314.3576 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20500 TCL: Running for 0 steps PRESSURE: 20500 0 0 0 0 0 0 0 0 0 GPRESSURE: 20500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20500 258.0352 723.8355 373.4717 38.8924 -1774.7467 -300.7469 0.0000 0.0000 955.1333 273.8744 314.0444 286.1100 285.2220 314.0444 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20550 TCL: Running for 0 steps PRESSURE: 20550 0 0 0 0 0 0 0 0 0 GPRESSURE: 20550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20550 258.0408 721.5580 390.3986 44.0912 -1785.7100 -308.6602 0.0000 0.0000 953.9748 273.6931 313.6635 285.8905 285.2015 313.6635 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20600 TCL: Running for 0 steps PRESSURE: 20600 0 0 0 0 0 0 0 0 0 GPRESSURE: 20600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20600 231.9137 718.4865 385.7500 46.8398 -1788.3619 -299.9032 0.0000 0.0000 953.7763 248.5012 313.5982 260.3754 260.9409 313.5982 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20650 TCL: Running for 0 steps PRESSURE: 20650 0 0 0 0 0 0 0 0 0 GPRESSURE: 20650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20650 239.5241 711.1937 398.8369 46.8123 -1842.9494 -293.6644 0.0000 0.0000 952.8464 212.5995 313.2925 224.2954 225.4946 313.2925 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20700 TCL: Running for 0 steps PRESSURE: 20700 0 0 0 0 0 0 0 0 0 GPRESSURE: 20700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20700 252.6361 721.7231 393.1504 37.3614 -1809.7391 -301.1080 0.0000 0.0000 958.7667 252.7906 315.2391 264.9290 264.3940 315.2391 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20750 TCL: Running for 0 steps PRESSURE: 20750 0 0 0 0 0 0 0 0 0 GPRESSURE: 20750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20750 240.1601 705.5830 370.3625 37.5706 -1799.2874 -263.7829 0.0000 0.0000 959.7849 250.3908 315.5738 262.5527 261.9631 315.5738 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20800 TCL: Running for 0 steps PRESSURE: 20800 0 0 0 0 0 0 0 0 0 GPRESSURE: 20800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20800 238.5231 713.8475 369.5673 40.4060 -1813.2036 -304.3310 0.0000 0.0000 955.0389 199.8482 314.0134 211.4790 212.9174 314.0134 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20850 TCL: Running for 0 steps PRESSURE: 20850 0 0 0 0 0 0 0 0 0 GPRESSURE: 20850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20850 248.8094 671.8143 396.8688 50.9265 -1797.9641 -281.7701 0.0000 0.0000 959.4818 248.1668 315.4742 260.6977 258.6709 315.4742 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20900 TCL: Running for 0 steps PRESSURE: 20900 0 0 0 0 0 0 0 0 0 GPRESSURE: 20900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20900 268.4749 715.2598 387.4212 50.8834 -1795.1146 -300.4335 0.0000 0.0000 962.5582 289.0495 316.4857 301.9258 298.7306 316.4857 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 20950 TCL: Running for 0 steps PRESSURE: 20950 0 0 0 0 0 0 0 0 0 GPRESSURE: 20950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 20950 241.9988 733.2438 371.9531 51.1947 -1792.5184 -296.2469 0.0000 0.0000 956.2652 265.8903 314.4166 278.1934 277.3474 314.4166 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21000 TCL: Running for 0 steps PRESSURE: 21000 0 0 0 0 0 0 0 0 0 GPRESSURE: 21000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21000 254.3694 703.6324 375.2605 40.9990 -1769.6741 -298.7023 0.0000 0.0000 957.8109 263.6960 314.9248 275.6872 276.0636 314.9248 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21050 TCL: Running for 0 steps PRESSURE: 21050 0 0 0 0 0 0 0 0 0 GPRESSURE: 21050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21050 252.7546 673.2129 380.9368 35.3277 -1793.8707 -280.1913 0.0000 0.0000 951.1008 219.2708 312.7185 231.1534 231.9134 312.7185 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21100 TCL: Running for 0 steps PRESSURE: 21100 0 0 0 0 0 0 0 0 0 GPRESSURE: 21100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21100 227.8795 698.8520 392.6127 39.0707 -1803.6956 -282.9344 0.0000 0.0000 953.0780 224.8629 313.3686 236.6052 237.8440 313.3686 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21150 TCL: Running for 0 steps PRESSURE: 21150 0 0 0 0 0 0 0 0 0 GPRESSURE: 21150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21150 245.2232 714.3045 397.0315 46.4290 -1814.0025 -297.0286 0.0000 0.0000 957.1967 249.1537 314.7228 261.0974 261.5034 314.7228 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21200 TCL: Running for 0 steps PRESSURE: 21200 0 0 0 0 0 0 0 0 0 GPRESSURE: 21200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21200 250.2236 712.2657 386.9317 45.2118 -1807.6398 -281.4080 0.0000 0.0000 956.8099 262.3948 314.5957 274.5807 274.0533 314.5957 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21250 TCL: Running for 0 steps PRESSURE: 21250 0 0 0 0 0 0 0 0 0 GPRESSURE: 21250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21250 237.7155 719.6020 386.7742 37.4668 -1790.2655 -295.3912 0.0000 0.0000 956.6508 252.5524 314.5433 265.2213 262.9155 314.5433 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21300 TCL: Running for 0 steps PRESSURE: 21300 0 0 0 0 0 0 0 0 0 GPRESSURE: 21300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21300 246.0155 702.4641 403.5446 37.4558 -1808.1694 -312.8777 0.0000 0.0000 961.5858 230.0186 316.1659 242.0527 242.2716 316.1659 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21350 TCL: Running for 0 steps PRESSURE: 21350 0 0 0 0 0 0 0 0 0 GPRESSURE: 21350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21350 227.3495 742.6871 395.0628 41.5976 -1798.3500 -298.7758 0.0000 0.0000 959.5433 269.1146 315.4944 281.4856 280.4273 315.4944 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21400 TCL: Running for 0 steps PRESSURE: 21400 0 0 0 0 0 0 0 0 0 GPRESSURE: 21400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21400 252.6698 735.3265 379.5102 37.5233 -1820.6183 -285.7669 0.0000 0.0000 959.1518 257.7965 315.3657 270.3730 268.6104 315.3657 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21450 TCL: Running for 0 steps PRESSURE: 21450 0 0 0 0 0 0 0 0 0 GPRESSURE: 21450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21450 243.4631 679.6574 386.5000 50.0631 -1811.3154 -297.9119 0.0000 0.0000 953.9204 204.3767 313.6456 216.0255 217.8519 313.6456 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21500 TCL: Running for 0 steps PRESSURE: 21500 0 0 0 0 0 0 0 0 0 GPRESSURE: 21500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21500 255.8101 701.5005 401.1304 44.6295 -1822.2014 -292.7574 0.0000 0.0000 961.4991 249.6108 316.1374 261.8073 261.4655 316.1374 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21550 TCL: Running for 0 steps PRESSURE: 21550 0 0 0 0 0 0 0 0 0 GPRESSURE: 21550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21550 215.2586 728.1082 378.7580 42.1676 -1787.1356 -284.0108 0.0000 0.0000 958.7385 251.8844 315.2298 264.2838 263.2024 315.2298 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21600 TCL: Running for 0 steps PRESSURE: 21600 0 0 0 0 0 0 0 0 0 GPRESSURE: 21600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21600 232.9051 711.0604 384.1991 41.2561 -1804.2218 -268.8108 0.0000 0.0000 958.2771 254.6652 315.0781 266.7094 267.0278 315.0781 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21650 TCL: Running for 0 steps PRESSURE: 21650 0 0 0 0 0 0 0 0 0 GPRESSURE: 21650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21650 239.5506 749.0522 388.5301 43.6258 -1825.6220 -295.3131 0.0000 0.0000 960.9286 260.7521 315.9499 273.2679 271.7979 315.9499 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21700 TCL: Running for 0 steps PRESSURE: 21700 0 0 0 0 0 0 0 0 0 GPRESSURE: 21700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21700 235.5699 711.5498 391.5140 35.2409 -1766.1739 -298.9190 0.0000 0.0000 954.1621 262.9437 313.7251 275.6476 273.5643 313.7251 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21750 TCL: Running for 0 steps PRESSURE: 21750 0 0 0 0 0 0 0 0 0 GPRESSURE: 21750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21750 237.8693 673.2039 387.9700 33.1482 -1817.8860 -260.8789 0.0000 0.0000 957.4020 210.8285 314.7903 222.5807 224.1963 314.7903 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21800 TCL: Running for 0 steps PRESSURE: 21800 0 0 0 0 0 0 0 0 0 GPRESSURE: 21800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21800 234.9055 717.9398 397.3923 48.8730 -1812.5981 -302.4419 0.0000 0.0000 960.2008 244.2714 315.7106 256.4744 256.2984 315.7106 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21850 TCL: Running for 0 steps PRESSURE: 21850 0 0 0 0 0 0 0 0 0 GPRESSURE: 21850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21850 222.4395 670.7572 372.7790 44.5402 -1812.9807 -279.2797 0.0000 0.0000 958.6924 176.9479 315.2146 188.5133 190.7392 315.2146 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21900 TCL: Running for 0 steps PRESSURE: 21900 0 0 0 0 0 0 0 0 0 GPRESSURE: 21900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21900 248.0931 712.5607 373.6980 41.3000 -1798.7571 -269.4681 0.0000 0.0000 955.4292 262.8558 314.1417 275.5016 273.5368 314.1417 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 21950 TCL: Running for 0 steps PRESSURE: 21950 0 0 0 0 0 0 0 0 0 GPRESSURE: 21950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 21950 246.7931 731.7231 386.8973 45.3710 -1809.3708 -292.1850 0.0000 0.0000 957.9478 267.1766 314.9698 279.7252 278.2480 314.9698 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22000 TCL: Running for 0 steps PRESSURE: 22000 0 0 0 0 0 0 0 0 0 GPRESSURE: 22000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22000 229.3750 710.3809 395.8390 43.5670 -1865.4108 -264.1764 0.0000 0.0000 963.1853 212.7599 316.6919 224.8758 225.1135 316.6919 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22050 TCL: Running for 0 steps PRESSURE: 22050 0 0 0 0 0 0 0 0 0 GPRESSURE: 22050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22050 258.6600 697.8662 401.4412 45.9286 -1834.2626 -295.2201 0.0000 0.0000 959.6494 234.0626 315.5293 246.1294 246.5363 315.5293 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22100 TCL: Running for 0 steps PRESSURE: 22100 0 0 0 0 0 0 0 0 0 GPRESSURE: 22100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22100 231.0947 721.6734 403.8404 38.5257 -1859.3720 -268.4681 0.0000 0.0000 956.2155 223.5096 314.4002 235.8543 235.1936 314.4002 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22150 TCL: Running for 0 steps PRESSURE: 22150 0 0 0 0 0 0 0 0 0 GPRESSURE: 22150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22150 222.7027 722.4226 392.7851 37.3328 -1843.8281 -284.4386 0.0000 0.0000 959.5162 206.4928 315.4855 218.4667 219.2378 315.4855 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22200 TCL: Running for 0 steps PRESSURE: 22200 0 0 0 0 0 0 0 0 0 GPRESSURE: 22200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22200 202.8643 713.6014 394.6560 37.7777 -1808.5778 -298.3229 0.0000 0.0000 958.4338 200.4326 315.1296 211.9576 214.3637 315.1296 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22250 TCL: Running for 0 steps PRESSURE: 22250 0 0 0 0 0 0 0 0 0 GPRESSURE: 22250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22250 260.3248 745.3559 387.4697 40.7597 -1841.3306 -288.6164 0.0000 0.0000 950.6179 254.5811 312.5598 267.1691 265.4387 312.5598 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22300 TCL: Running for 0 steps PRESSURE: 22300 0 0 0 0 0 0 0 0 0 GPRESSURE: 22300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22300 249.2277 733.2563 382.4145 45.7425 -1847.1443 -279.3749 0.0000 0.0000 953.6976 237.8195 313.5723 250.0859 249.6698 313.5723 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22350 TCL: Running for 0 steps PRESSURE: 22350 0 0 0 0 0 0 0 0 0 GPRESSURE: 22350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22350 252.2792 727.8145 390.3120 43.2288 -1818.3930 -287.3134 0.0000 0.0000 956.7373 264.6654 314.5718 276.8500 276.7667 314.5718 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22400 TCL: Running for 0 steps PRESSURE: 22400 0 0 0 0 0 0 0 0 0 GPRESSURE: 22400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22400 232.5164 688.1150 385.9196 41.1977 -1829.0946 -271.1950 0.0000 0.0000 959.0171 206.4763 315.3214 218.4054 219.2853 315.3214 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22450 TCL: Running for 0 steps PRESSURE: 22450 0 0 0 0 0 0 0 0 0 GPRESSURE: 22450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22450 251.4758 711.7153 386.3192 34.3197 -1844.4459 -272.8590 0.0000 0.0000 963.0840 229.6092 316.6586 241.6480 242.0613 316.6586 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22500 TCL: Running for 0 steps PRESSURE: 22500 0 0 0 0 0 0 0 0 0 GPRESSURE: 22500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22500 238.2363 714.9078 386.1484 37.7497 -1794.8845 -296.7961 0.0000 0.0000 958.2625 243.6242 315.0733 255.8535 255.5267 315.0733 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22550 TCL: Running for 0 steps PRESSURE: 22550 0 0 0 0 0 0 0 0 0 GPRESSURE: 22550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22550 240.2849 751.9820 378.5415 42.5123 -1838.0332 -278.8937 0.0000 0.0000 953.1261 249.5198 313.3844 262.4637 259.4778 313.3844 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22600 TCL: Running for 0 steps PRESSURE: 22600 0 0 0 0 0 0 0 0 0 GPRESSURE: 22600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22600 253.7446 688.3614 385.0664 46.2894 -1798.8198 -288.8352 0.0000 0.0000 958.2516 244.0584 315.0697 256.2381 256.3046 315.0697 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22650 TCL: Running for 0 steps PRESSURE: 22650 0 0 0 0 0 0 0 0 0 GPRESSURE: 22650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22650 251.1287 714.6038 391.6279 48.9329 -1836.6281 -280.4750 0.0000 0.0000 956.8845 246.0748 314.6202 258.2746 258.2613 314.6202 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22700 TCL: Running for 0 steps PRESSURE: 22700 0 0 0 0 0 0 0 0 0 GPRESSURE: 22700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22700 243.4533 725.1845 397.3170 46.7441 -1823.7365 -258.3104 0.0000 0.0000 949.6027 280.2546 312.2260 292.5067 292.2983 312.2260 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22750 TCL: Running for 0 steps PRESSURE: 22750 0 0 0 0 0 0 0 0 0 GPRESSURE: 22750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22750 242.4084 747.1915 400.9967 42.5707 -1811.5287 -291.8514 0.0000 0.0000 960.9162 290.7034 315.9458 302.8074 303.1675 315.9458 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22800 TCL: Running for 0 steps PRESSURE: 22800 0 0 0 0 0 0 0 0 0 GPRESSURE: 22800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22800 262.5610 683.1492 387.6908 49.9509 -1779.4051 -286.1972 0.0000 0.0000 955.2152 272.9649 314.0713 285.1838 285.0902 314.0713 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22850 TCL: Running for 0 steps PRESSURE: 22850 0 0 0 0 0 0 0 0 0 GPRESSURE: 22850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22850 261.4237 729.0672 379.4350 41.0900 -1822.7653 -276.6487 0.0000 0.0000 955.7985 267.4004 314.2631 280.2718 277.7376 314.2631 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22900 TCL: Running for 0 steps PRESSURE: 22900 0 0 0 0 0 0 0 0 0 GPRESSURE: 22900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22900 222.4190 738.1040 389.8632 52.9726 -1806.8494 -287.2925 0.0000 0.0000 954.9940 264.2109 313.9986 276.6420 275.9170 313.9986 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 22950 TCL: Running for 0 steps PRESSURE: 22950 0 0 0 0 0 0 0 0 0 GPRESSURE: 22950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 22950 246.3520 718.1273 387.9972 47.3956 -1831.5863 -276.9114 0.0000 0.0000 953.0224 244.3967 313.3503 256.5678 256.8634 313.3503 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23000 TCL: Running for 0 steps PRESSURE: 23000 0 0 0 0 0 0 0 0 0 GPRESSURE: 23000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23000 251.4820 756.1427 370.0793 35.5776 -1848.2949 -295.7126 0.0000 0.0000 956.0574 225.3314 314.3482 237.6873 237.2714 314.3482 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23050 TCL: Running for 0 steps PRESSURE: 23050 0 0 0 0 0 0 0 0 0 GPRESSURE: 23050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23050 250.2098 748.7205 376.7600 37.1611 -1844.6009 -293.5922 0.0000 0.0000 953.2971 227.9554 313.4406 240.8218 238.5176 313.4406 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23100 TCL: Running for 0 steps PRESSURE: 23100 0 0 0 0 0 0 0 0 0 GPRESSURE: 23100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23100 245.8725 717.3101 391.3760 35.1574 -1846.8266 -282.8405 0.0000 0.0000 954.1059 214.1549 313.7066 226.1107 227.3648 313.7066 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23150 TCL: Running for 0 steps PRESSURE: 23150 0 0 0 0 0 0 0 0 0 GPRESSURE: 23150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23150 239.7512 730.3780 393.3574 44.9860 -1808.4942 -304.3870 0.0000 0.0000 953.5557 249.1469 313.5257 261.3346 261.6410 313.5257 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23200 TCL: Running for 0 steps PRESSURE: 23200 0 0 0 0 0 0 0 0 0 GPRESSURE: 23200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23200 237.7779 725.6782 391.1603 40.3594 -1854.8821 -282.5697 0.0000 0.0000 954.1181 211.6421 313.7106 223.8424 224.0822 313.7106 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23250 TCL: Running for 0 steps PRESSURE: 23250 0 0 0 0 0 0 0 0 0 GPRESSURE: 23250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23250 246.9889 725.0249 386.2250 43.0572 -1828.5707 -307.9347 0.0000 0.0000 951.2531 216.0437 312.7686 227.9698 229.2230 312.7686 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23300 TCL: Running for 0 steps PRESSURE: 23300 0 0 0 0 0 0 0 0 0 GPRESSURE: 23300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23300 233.3182 749.7108 389.1224 50.6586 -1835.4290 -300.3436 0.0000 0.0000 961.9574 248.9948 316.2881 261.0818 261.6532 316.2881 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23350 TCL: Running for 0 steps PRESSURE: 23350 0 0 0 0 0 0 0 0 0 GPRESSURE: 23350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23350 247.4130 722.9845 414.3987 45.5347 -1811.3767 -310.7256 0.0000 0.0000 961.5128 269.7414 316.1420 281.6999 282.7177 316.1420 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23400 TCL: Running for 0 steps PRESSURE: 23400 0 0 0 0 0 0 0 0 0 GPRESSURE: 23400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23400 217.1268 741.9427 393.7871 36.2087 -1827.8893 -280.2529 0.0000 0.0000 962.5075 243.4307 316.4690 255.7357 255.3904 316.4690 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23450 TCL: Running for 0 steps PRESSURE: 23450 0 0 0 0 0 0 0 0 0 GPRESSURE: 23450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23450 246.1151 720.2083 382.5939 42.9374 -1814.0321 -287.0035 0.0000 0.0000 956.7161 247.5353 314.5648 259.9722 259.1535 314.5648 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23500 TCL: Running for 0 steps PRESSURE: 23500 0 0 0 0 0 0 0 0 0 GPRESSURE: 23500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23500 233.5883 760.9577 389.3403 39.5275 -1843.6413 -278.8961 0.0000 0.0000 956.5738 257.4502 314.5180 269.8809 269.1371 314.5180 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23550 TCL: Running for 0 steps PRESSURE: 23550 0 0 0 0 0 0 0 0 0 GPRESSURE: 23550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23550 253.6650 744.7997 382.3104 41.2419 -1814.3311 -275.5441 0.0000 0.0000 958.4455 290.5873 315.1334 303.3611 301.3771 315.1334 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23600 TCL: Running for 0 steps PRESSURE: 23600 0 0 0 0 0 0 0 0 0 GPRESSURE: 23600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23600 261.7134 711.7223 395.4440 46.9888 -1843.5428 -280.7890 0.0000 0.0000 957.6770 249.2137 314.8808 261.4300 261.6602 314.8808 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23650 TCL: Running for 0 steps PRESSURE: 23650 0 0 0 0 0 0 0 0 0 GPRESSURE: 23650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23650 243.2581 736.2363 373.4706 38.5325 -1823.7102 -286.6355 0.0000 0.0000 960.8653 242.0172 315.9291 253.7777 255.7031 315.9291 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23700 TCL: Running for 0 steps PRESSURE: 23700 0 0 0 0 0 0 0 0 0 GPRESSURE: 23700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23700 234.6869 723.6021 373.4816 39.6497 -1823.4911 -295.0177 0.0000 0.0000 958.5649 211.4764 315.1727 223.5253 224.2489 315.1727 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23750 TCL: Running for 0 steps PRESSURE: 23750 0 0 0 0 0 0 0 0 0 GPRESSURE: 23750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23750 235.4934 731.7994 380.9306 44.7321 -1815.9895 -288.9457 0.0000 0.0000 957.3768 245.3970 314.7820 258.0055 256.5854 314.7820 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23800 TCL: Running for 0 steps PRESSURE: 23800 0 0 0 0 0 0 0 0 0 GPRESSURE: 23800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23800 247.7532 744.7422 387.0121 44.3584 -1857.1023 -292.8008 0.0000 0.0000 960.1869 234.1497 315.7060 246.6530 245.7162 315.7060 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23850 TCL: Running for 0 steps PRESSURE: 23850 0 0 0 0 0 0 0 0 0 GPRESSURE: 23850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23850 231.4099 739.5814 388.7394 41.2493 -1841.1980 -289.2959 0.0000 0.0000 956.2188 226.7049 314.4013 239.1831 238.3989 314.4013 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23900 TCL: Running for 0 steps PRESSURE: 23900 0 0 0 0 0 0 0 0 0 GPRESSURE: 23900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23900 239.9143 716.3284 389.5415 51.0233 -1819.4314 -287.8461 0.0000 0.0000 950.3127 239.8426 312.4594 252.8766 250.0573 312.4594 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 23950 TCL: Running for 0 steps PRESSURE: 23950 0 0 0 0 0 0 0 0 0 GPRESSURE: 23950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 23950 242.8284 685.6426 382.1465 41.6363 -1848.6139 -286.2617 0.0000 0.0000 953.8691 171.2473 313.6287 183.4203 184.0057 313.6287 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24000 TCL: Running for 0 steps PRESSURE: 24000 0 0 0 0 0 0 0 0 0 GPRESSURE: 24000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24000 232.7559 732.6681 385.4005 41.8381 -1879.1252 -275.1616 0.0000 0.0000 955.8188 194.1946 314.2698 206.3215 207.0430 314.2698 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24050 TCL: Running for 0 steps PRESSURE: 24050 0 0 0 0 0 0 0 0 0 GPRESSURE: 24050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24050 222.5177 715.5001 389.0596 40.8290 -1831.4933 -290.9176 0.0000 0.0000 957.5417 203.0373 314.8363 214.9515 216.4257 314.8363 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24100 TCL: Running for 0 steps PRESSURE: 24100 0 0 0 0 0 0 0 0 0 GPRESSURE: 24100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24100 232.7046 701.8359 378.1384 39.0879 -1832.2836 -264.9291 0.0000 0.0000 959.0279 213.5819 315.3249 225.3261 227.3458 315.3249 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24150 TCL: Running for 0 steps PRESSURE: 24150 0 0 0 0 0 0 0 0 0 GPRESSURE: 24150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24150 225.1217 665.1305 370.7064 36.1366 -1780.0667 -289.7956 0.0000 0.0000 959.2854 186.5183 315.4096 197.6099 201.9506 315.4096 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24200 TCL: Running for 0 steps PRESSURE: 24200 0 0 0 0 0 0 0 0 0 GPRESSURE: 24200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24200 241.2939 719.4895 396.9636 35.3414 -1820.5289 -296.8376 0.0000 0.0000 965.6354 241.3573 317.4974 253.8724 252.6036 317.4974 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24250 TCL: Running for 0 steps PRESSURE: 24250 0 0 0 0 0 0 0 0 0 GPRESSURE: 24250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24250 238.7313 716.7793 380.4577 37.7247 -1826.6474 -304.0669 0.0000 0.0000 954.4082 197.3869 313.8060 209.4888 209.8489 313.8060 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24300 TCL: Running for 0 steps PRESSURE: 24300 0 0 0 0 0 0 0 0 0 GPRESSURE: 24300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24300 262.3255 706.7805 375.2245 37.7059 -1819.3903 -277.6178 0.0000 0.0000 955.9872 241.0154 314.3252 253.5644 252.2255 314.3252 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24350 TCL: Running for 0 steps PRESSURE: 24350 0 0 0 0 0 0 0 0 0 GPRESSURE: 24350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24350 228.6448 693.7788 377.4059 44.1280 -1819.2862 -269.6961 0.0000 0.0000 958.4367 213.4118 315.1305 225.0444 227.2255 315.1305 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24400 TCL: Running for 0 steps PRESSURE: 24400 0 0 0 0 0 0 0 0 0 GPRESSURE: 24400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24400 234.5011 683.6770 375.7535 36.5658 -1769.2670 -288.5878 0.0000 0.0000 957.2711 229.9137 314.7473 241.9236 242.5535 314.7473 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24450 TCL: Running for 0 steps PRESSURE: 24450 0 0 0 0 0 0 0 0 0 GPRESSURE: 24450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24450 240.5488 700.0375 385.9409 39.3743 -1824.4644 -282.9330 0.0000 0.0000 959.8775 218.3816 315.6043 229.7570 232.7269 315.6043 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24500 TCL: Running for 0 steps PRESSURE: 24500 0 0 0 0 0 0 0 0 0 GPRESSURE: 24500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24500 239.7506 753.2153 387.1062 40.2504 -1810.4773 -259.9743 0.0000 0.0000 956.9631 306.8340 314.6460 319.1709 318.3496 314.6460 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24550 TCL: Running for 0 steps PRESSURE: 24550 0 0 0 0 0 0 0 0 0 GPRESSURE: 24550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24550 240.2342 706.0480 392.7067 38.8139 -1801.8912 -288.3110 0.0000 0.0000 956.9494 244.5500 314.6415 256.5455 257.0557 314.6415 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24600 TCL: Running for 0 steps PRESSURE: 24600 0 0 0 0 0 0 0 0 0 GPRESSURE: 24600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24600 235.1852 745.7050 398.0884 43.1998 -1847.2055 -280.9431 0.0000 0.0000 961.0670 255.0968 315.9954 267.1339 267.4562 315.9954 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24650 TCL: Running for 0 steps PRESSURE: 24650 0 0 0 0 0 0 0 0 0 GPRESSURE: 24650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24650 237.0551 716.8940 381.5799 50.7887 -1802.4770 -296.3484 0.0000 0.0000 959.7554 247.2477 315.5641 259.1760 259.8863 315.5641 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24700 TCL: Running for 0 steps PRESSURE: 24700 0 0 0 0 0 0 0 0 0 GPRESSURE: 24700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24700 243.0145 707.8666 400.0322 48.2820 -1814.9348 -282.3346 0.0000 0.0000 956.6808 258.6066 314.5532 271.0991 269.6493 314.5532 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24750 TCL: Running for 0 steps PRESSURE: 24750 0 0 0 0 0 0 0 0 0 GPRESSURE: 24750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24750 240.8926 748.2303 387.9948 41.5115 -1821.8517 -294.0281 0.0000 0.0000 955.4889 258.2383 314.1613 270.2294 270.7501 314.1613 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24800 TCL: Running for 0 steps PRESSURE: 24800 0 0 0 0 0 0 0 0 0 GPRESSURE: 24800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24800 228.6287 697.4538 392.2043 42.0603 -1810.3244 -280.3054 0.0000 0.0000 955.7104 225.4276 314.2341 237.1375 238.6804 314.2341 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24850 TCL: Running for 0 steps PRESSURE: 24850 0 0 0 0 0 0 0 0 0 GPRESSURE: 24850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24850 246.8930 746.6329 381.8802 42.5368 -1830.2080 -283.9598 0.0000 0.0000 960.0626 263.8377 315.6651 276.2212 275.1418 315.6651 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24900 TCL: Running for 0 steps PRESSURE: 24900 0 0 0 0 0 0 0 0 0 GPRESSURE: 24900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24900 228.7235 728.5490 385.0434 38.8326 -1855.3641 -270.9990 0.0000 0.0000 957.2725 212.0578 314.7478 223.6391 225.6355 314.7478 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 24950 TCL: Running for 0 steps PRESSURE: 24950 0 0 0 0 0 0 0 0 0 GPRESSURE: 24950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 24950 235.3789 738.8377 398.9679 43.0790 -1858.7528 -272.2019 0.0000 0.0000 962.9199 248.2288 316.6046 260.9997 258.4102 316.6046 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25000 TCL: Running for 0 steps PRESSURE: 25000 0 0 0 0 0 0 0 0 0 GPRESSURE: 25000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25000 242.6279 727.8651 390.1452 41.7724 -1837.2957 -278.3366 0.0000 0.0000 959.8508 246.6291 315.5955 259.0687 257.8832 315.5955 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25050 TCL: Running for 0 steps PRESSURE: 25050 0 0 0 0 0 0 0 0 0 GPRESSURE: 25050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25050 210.1223 714.2468 405.0708 46.5302 -1829.1968 -275.2153 0.0000 0.0000 961.7924 233.3505 316.2339 245.4258 245.6804 316.2339 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25100 TCL: Running for 0 steps PRESSURE: 25100 0 0 0 0 0 0 0 0 0 GPRESSURE: 25100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25100 233.5630 720.6002 379.7463 35.3144 -1811.9482 -294.3617 0.0000 0.0000 961.8695 224.7835 316.2592 237.0585 236.5483 316.2592 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25150 TCL: Running for 0 steps PRESSURE: 25150 0 0 0 0 0 0 0 0 0 GPRESSURE: 25150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25150 269.3257 744.6306 383.0676 37.6994 -1809.0009 -288.0848 0.0000 0.0000 961.4421 299.0797 316.1187 311.6265 310.1291 316.1187 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25200 TCL: Running for 0 steps PRESSURE: 25200 0 0 0 0 0 0 0 0 0 GPRESSURE: 25200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25200 217.4479 711.7833 389.9397 37.8353 -1771.6145 -285.3348 0.0000 0.0000 960.1813 260.2382 315.7041 272.1499 273.1278 315.7041 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25250 TCL: Running for 0 steps PRESSURE: 25250 0 0 0 0 0 0 0 0 0 GPRESSURE: 25250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25250 246.5704 703.7477 379.1180 40.5455 -1773.9393 -293.8999 0.0000 0.0000 961.8433 263.9858 316.2506 275.8148 277.0417 316.2506 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25300 TCL: Running for 0 steps PRESSURE: 25300 0 0 0 0 0 0 0 0 0 GPRESSURE: 25300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25300 265.3699 713.7902 388.7332 42.8038 -1793.9356 -291.9586 0.0000 0.0000 961.0058 285.8086 315.9753 298.3135 296.9291 315.9753 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25350 TCL: Running for 0 steps PRESSURE: 25350 0 0 0 0 0 0 0 0 0 GPRESSURE: 25350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25350 242.8462 715.1935 377.7218 43.9466 -1784.6930 -290.5708 0.0000 0.0000 962.5515 266.9958 316.4835 279.3168 278.7085 316.4835 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25400 TCL: Running for 0 steps PRESSURE: 25400 0 0 0 0 0 0 0 0 0 GPRESSURE: 25400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25400 238.2373 721.4699 380.3453 33.9867 -1757.3246 -307.4344 0.0000 0.0000 962.8175 272.0975 316.5709 284.6459 283.2230 316.5709 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25450 TCL: Running for 0 steps PRESSURE: 25450 0 0 0 0 0 0 0 0 0 GPRESSURE: 25450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25450 240.0954 705.7332 387.3188 45.8354 -1830.5125 -298.0155 0.0000 0.0000 963.1108 213.5655 316.6674 226.1074 224.7977 316.6674 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25500 TCL: Running for 0 steps PRESSURE: 25500 0 0 0 0 0 0 0 0 0 GPRESSURE: 25500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25500 242.4537 713.3510 391.5750 42.0848 -1838.8575 -297.8412 0.0000 0.0000 956.7553 209.5211 314.5777 221.7855 221.5982 314.5777 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25550 TCL: Running for 0 steps PRESSURE: 25550 0 0 0 0 0 0 0 0 0 GPRESSURE: 25550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25550 252.8568 697.4215 390.8402 37.6686 -1823.1725 -300.7442 0.0000 0.0000 956.7049 211.5753 314.5611 223.4836 224.6436 314.5611 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25600 TCL: Running for 0 steps PRESSURE: 25600 0 0 0 0 0 0 0 0 0 GPRESSURE: 25600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25600 234.6861 712.0697 378.7753 31.8014 -1785.8986 -304.9010 0.0000 0.0000 960.3607 226.8936 315.7631 239.1794 238.8512 315.7631 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25650 TCL: Running for 0 steps PRESSURE: 25650 0 0 0 0 0 0 0 0 0 GPRESSURE: 25650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25650 234.0005 692.7308 403.4254 44.4384 -1826.2231 -292.3449 0.0000 0.0000 960.4620 216.4891 315.7964 228.4301 229.4154 315.7964 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25700 TCL: Running for 0 steps PRESSURE: 25700 0 0 0 0 0 0 0 0 0 GPRESSURE: 25700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25700 235.2357 715.9222 392.4135 44.6462 -1811.1041 -302.4971 0.0000 0.0000 963.1833 237.7996 316.6912 249.9562 250.0714 316.6912 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25750 TCL: Running for 0 steps PRESSURE: 25750 0 0 0 0 0 0 0 0 0 GPRESSURE: 25750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25750 255.2244 686.6220 389.7062 31.6595 -1810.7905 -275.9421 0.0000 0.0000 958.2413 234.7208 315.0663 246.3968 248.3069 315.0663 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25800 TCL: Running for 0 steps PRESSURE: 25800 0 0 0 0 0 0 0 0 0 GPRESSURE: 25800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25800 245.0558 741.2285 384.5546 37.6474 -1856.1577 -298.3696 0.0000 0.0000 953.9361 207.8952 313.6507 219.6758 221.0745 313.6507 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25850 TCL: Running for 0 steps PRESSURE: 25850 0 0 0 0 0 0 0 0 0 GPRESSURE: 25850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25850 225.9423 711.8766 388.8013 31.4187 -1827.2770 -265.9795 0.0000 0.0000 948.7533 213.5357 311.9467 225.9227 224.9598 311.9467 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25900 TCL: Running for 0 steps PRESSURE: 25900 0 0 0 0 0 0 0 0 0 GPRESSURE: 25900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25900 235.3599 702.4998 395.4187 49.5229 -1798.2865 -274.1082 0.0000 0.0000 962.0934 272.4999 316.3328 284.8701 284.0305 316.3328 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 25950 TCL: Running for 0 steps PRESSURE: 25950 0 0 0 0 0 0 0 0 0 GPRESSURE: 25950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 25950 238.1847 744.6087 402.2356 52.4843 -1858.7237 -301.1509 0.0000 0.0000 952.0177 229.6564 313.0200 241.4450 242.8390 313.0200 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26000 TCL: Running for 0 steps PRESSURE: 26000 0 0 0 0 0 0 0 0 0 GPRESSURE: 26000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26000 238.6383 704.5872 388.0240 37.4482 -1834.5105 -289.6189 0.0000 0.0000 954.0481 198.6164 313.6876 210.2527 212.1304 313.6876 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26050 TCL: Running for 0 steps PRESSURE: 26050 0 0 0 0 0 0 0 0 0 GPRESSURE: 26050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26050 221.0705 713.7429 389.9518 43.3332 -1818.1725 -289.3314 0.0000 0.0000 947.0902 207.6847 311.3998 219.1291 221.6092 311.3998 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26100 TCL: Running for 0 steps PRESSURE: 26100 0 0 0 0 0 0 0 0 0 GPRESSURE: 26100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26100 234.4518 761.5821 388.5862 40.8057 -1829.2324 -299.7998 0.0000 0.0000 961.4292 257.8229 316.1145 270.2960 268.7633 316.1145 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26150 TCL: Running for 0 steps PRESSURE: 26150 0 0 0 0 0 0 0 0 0 GPRESSURE: 26150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26150 253.1716 713.2652 405.6044 46.3749 -1814.0357 -292.5341 0.0000 0.0000 953.4796 265.3259 313.5007 277.5313 277.0986 313.5007 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26200 TCL: Running for 0 steps PRESSURE: 26200 0 0 0 0 0 0 0 0 0 GPRESSURE: 26200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26200 236.5071 749.5353 387.3176 43.7421 -1832.8576 -291.7047 0.0000 0.0000 951.8574 244.3972 312.9673 256.5091 256.4537 312.9673 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26250 TCL: Running for 0 steps PRESSURE: 26250 0 0 0 0 0 0 0 0 0 GPRESSURE: 26250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26250 247.1328 686.5969 408.6343 45.0492 -1811.3173 -277.2069 0.0000 0.0000 952.2329 251.1219 313.0907 263.4780 262.5104 313.0907 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26300 TCL: Running for 0 steps PRESSURE: 26300 0 0 0 0 0 0 0 0 0 GPRESSURE: 26300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26300 230.8281 719.5301 392.0898 39.7038 -1812.1283 -301.5767 0.0000 0.0000 948.3809 216.8277 311.8242 228.7385 229.5015 311.8242 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26350 TCL: Running for 0 steps PRESSURE: 26350 0 0 0 0 0 0 0 0 0 GPRESSURE: 26350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26350 223.6116 726.9477 384.0716 39.7104 -1808.5251 -299.5142 0.0000 0.0000 953.8703 220.1723 313.6291 232.0519 232.8843 313.6291 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26400 TCL: Running for 0 steps PRESSURE: 26400 0 0 0 0 0 0 0 0 0 GPRESSURE: 26400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26400 254.7747 717.9632 395.4018 30.9052 -1800.7814 -286.2228 0.0000 0.0000 957.2316 269.2722 314.7343 281.8159 280.1059 314.7343 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26450 TCL: Running for 0 steps PRESSURE: 26450 0 0 0 0 0 0 0 0 0 GPRESSURE: 26450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26450 240.8891 705.3599 381.0645 43.2312 -1836.1342 -299.3242 0.0000 0.0000 956.9182 192.0046 314.6313 203.9218 204.6679 314.6313 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26500 TCL: Running for 0 steps PRESSURE: 26500 0 0 0 0 0 0 0 0 0 GPRESSURE: 26500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26500 233.7408 694.4017 366.9346 38.2151 -1782.4038 -284.1318 0.0000 0.0000 955.4022 222.1586 314.1328 234.0780 234.7694 314.1328 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26550 TCL: Running for 0 steps PRESSURE: 26550 0 0 0 0 0 0 0 0 0 GPRESSURE: 26550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26550 246.7298 737.9467 385.9085 40.7485 -1804.8217 -292.0407 0.0000 0.0000 961.6558 276.1269 316.1890 288.7626 286.7245 316.1890 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26600 TCL: Running for 0 steps PRESSURE: 26600 0 0 0 0 0 0 0 0 0 GPRESSURE: 26600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26600 259.8368 699.4503 384.2467 34.9149 -1845.5260 -294.4889 0.0000 0.0000 956.3908 194.8245 314.4578 206.9383 206.9848 314.4578 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26650 TCL: Running for 0 steps PRESSURE: 26650 0 0 0 0 0 0 0 0 0 GPRESSURE: 26650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26650 260.3001 724.7224 393.2984 48.1978 -1831.3724 -289.6731 0.0000 0.0000 958.5786 264.0519 315.1772 276.4451 275.4408 315.1772 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26700 TCL: Running for 0 steps PRESSURE: 26700 0 0 0 0 0 0 0 0 0 GPRESSURE: 26700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26700 227.0730 732.9809 383.1387 47.2959 -1820.1599 -281.9741 0.0000 0.0000 955.6232 243.9777 314.2055 255.8425 256.8827 314.2055 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26750 TCL: Running for 0 steps PRESSURE: 26750 0 0 0 0 0 0 0 0 0 GPRESSURE: 26750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26750 228.4346 745.3355 391.2745 33.2982 -1824.2050 -298.5362 0.0000 0.0000 954.4679 230.0696 313.8256 242.4181 241.5788 313.8256 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26800 TCL: Running for 0 steps PRESSURE: 26800 0 0 0 0 0 0 0 0 0 GPRESSURE: 26800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26800 231.3884 728.7553 398.4628 41.1345 -1797.4689 -272.9544 0.0000 0.0000 954.6461 283.9638 313.8842 296.4639 295.1090 313.8842 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26850 TCL: Running for 0 steps PRESSURE: 26850 0 0 0 0 0 0 0 0 0 GPRESSURE: 26850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26850 229.6482 689.0772 393.1330 38.5513 -1806.0526 -304.7175 0.0000 0.0000 952.3988 192.0384 313.1453 202.9901 207.5264 313.1453 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26900 TCL: Running for 0 steps PRESSURE: 26900 0 0 0 0 0 0 0 0 0 GPRESSURE: 26900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26900 242.1028 711.8899 382.5877 43.5926 -1797.1795 -288.7758 0.0000 0.0000 949.8066 244.0244 312.2930 255.9766 256.4772 312.2930 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 26950 TCL: Running for 0 steps PRESSURE: 26950 0 0 0 0 0 0 0 0 0 GPRESSURE: 26950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 26950 237.8692 715.3897 384.3844 47.7903 -1829.7175 -297.2520 0.0000 0.0000 954.2420 212.7060 313.7513 224.8256 224.6672 313.7513 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27000 TCL: Running for 0 steps PRESSURE: 27000 0 0 0 0 0 0 0 0 0 GPRESSURE: 27000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27000 243.5488 698.1653 394.8700 51.3017 -1802.0175 -292.3626 0.0000 0.0000 961.2785 254.7842 316.0649 267.2908 265.6911 316.0649 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27050 TCL: Running for 0 steps PRESSURE: 27050 0 0 0 0 0 0 0 0 0 GPRESSURE: 27050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27050 258.2729 694.5826 393.0150 39.4337 -1816.0830 -295.7619 0.0000 0.0000 951.5740 225.0333 312.8741 237.1857 237.0144 312.8741 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27100 TCL: Running for 0 steps PRESSURE: 27100 0 0 0 0 0 0 0 0 0 GPRESSURE: 27100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27100 247.2986 716.7094 383.3966 44.3707 -1821.3511 -309.3356 0.0000 0.0000 957.6395 218.7281 314.8684 230.7599 231.0515 314.8684 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27150 TCL: Running for 0 steps PRESSURE: 27150 0 0 0 0 0 0 0 0 0 GPRESSURE: 27150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27150 234.4831 699.9268 391.5240 44.4051 -1821.1401 -299.0600 0.0000 0.0000 957.2028 207.3418 314.7248 219.0736 220.4720 314.7248 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27200 TCL: Running for 0 steps PRESSURE: 27200 0 0 0 0 0 0 0 0 0 GPRESSURE: 27200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27200 238.8129 700.2706 400.3768 39.5982 -1824.4631 -291.8044 0.0000 0.0000 949.2470 212.0381 312.1090 224.3335 223.5311 312.1090 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27250 TCL: Running for 0 steps PRESSURE: 27250 0 0 0 0 0 0 0 0 0 GPRESSURE: 27250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27250 260.4870 747.4001 386.9799 43.8733 -1797.8931 -295.3679 0.0000 0.0000 956.6712 302.1506 314.5500 315.0063 312.1529 314.5500 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27300 TCL: Running for 0 steps PRESSURE: 27300 0 0 0 0 0 0 0 0 0 GPRESSURE: 27300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27300 223.4900 698.7297 393.4440 37.1389 -1798.0039 -290.2761 0.0000 0.0000 952.6181 217.1406 313.2174 228.9460 230.2093 313.2174 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27350 TCL: Running for 0 steps PRESSURE: 27350 0 0 0 0 0 0 0 0 0 GPRESSURE: 27350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27350 223.9529 684.5527 386.2146 50.5548 -1773.9752 -290.1839 0.0000 0.0000 958.9955 240.1113 315.3143 251.7742 253.4932 315.3143 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27400 TCL: Running for 0 steps PRESSURE: 27400 0 0 0 0 0 0 0 0 0 GPRESSURE: 27400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27400 219.4096 715.5456 378.7764 38.8113 -1801.1906 -285.7855 0.0000 0.0000 949.8616 215.4285 312.3111 227.4431 227.7356 312.3111 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27450 TCL: Running for 0 steps PRESSURE: 27450 0 0 0 0 0 0 0 0 0 GPRESSURE: 27450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27450 242.8964 702.0818 388.9728 36.7304 -1854.9373 -285.9415 0.0000 0.0000 947.9814 177.7840 311.6929 189.6331 190.5279 311.6929 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27500 TCL: Running for 0 steps PRESSURE: 27500 0 0 0 0 0 0 0 0 0 GPRESSURE: 27500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27500 226.0828 694.2242 384.2898 46.5095 -1795.3402 -279.3000 0.0000 0.0000 959.6047 236.0709 315.5146 247.8706 248.8945 315.5146 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27550 TCL: Running for 0 steps PRESSURE: 27550 0 0 0 0 0 0 0 0 0 GPRESSURE: 27550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27550 266.0394 737.6561 402.0684 41.4070 -1856.8817 -302.2714 0.0000 0.0000 959.0751 247.0930 315.3404 259.5190 258.1305 315.3404 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27600 TCL: Running for 0 steps PRESSURE: 27600 0 0 0 0 0 0 0 0 0 GPRESSURE: 27600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27600 226.5722 747.4252 402.7685 46.3887 -1855.0905 -282.2685 0.0000 0.0000 951.2287 237.0243 312.7606 249.5563 247.8573 312.7606 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27650 TCL: Running for 0 steps PRESSURE: 27650 0 0 0 0 0 0 0 0 0 GPRESSURE: 27650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27650 199.0452 703.6575 389.9404 44.4559 -1832.9958 -272.9335 0.0000 0.0000 963.0070 194.1767 316.6332 205.5805 208.2182 316.6332 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27700 TCL: Running for 0 steps PRESSURE: 27700 0 0 0 0 0 0 0 0 0 GPRESSURE: 27700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27700 226.2635 743.5749 409.0179 45.9719 -1860.6673 -280.2316 0.0000 0.0000 956.7438 240.6730 314.5739 252.8028 252.5534 314.5739 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27750 TCL: Running for 0 steps PRESSURE: 27750 0 0 0 0 0 0 0 0 0 GPRESSURE: 27750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27750 233.8544 718.8348 385.3530 44.5708 -1833.1464 -286.1913 0.0000 0.0000 958.6417 221.9171 315.1979 233.8011 234.4887 315.1979 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27800 TCL: Running for 0 steps PRESSURE: 27800 0 0 0 0 0 0 0 0 0 GPRESSURE: 27800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27800 236.0849 708.4269 385.0923 44.2450 -1838.0535 -281.2488 0.0000 0.0000 955.1511 209.6981 314.0503 221.3929 222.7469 314.0503 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27850 TCL: Running for 0 steps PRESSURE: 27850 0 0 0 0 0 0 0 0 0 GPRESSURE: 27850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27850 225.5329 701.4097 390.7481 42.9263 -1805.4620 -304.0025 0.0000 0.0000 950.9653 202.1178 312.6740 213.5687 215.7531 312.6740 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27900 TCL: Running for 0 steps PRESSURE: 27900 0 0 0 0 0 0 0 0 0 GPRESSURE: 27900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27900 227.3758 708.8804 404.8816 35.2915 -1803.7967 -278.7262 0.0000 0.0000 949.7077 243.6141 312.2605 255.8450 254.9678 312.2605 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 27950 TCL: Running for 0 steps PRESSURE: 27950 0 0 0 0 0 0 0 0 0 GPRESSURE: 27950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 27950 247.7903 696.0737 389.4626 51.2069 -1787.2289 -291.1471 0.0000 0.0000 955.3590 261.5166 314.1186 273.5841 273.3746 314.1186 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28000 TCL: Running for 0 steps PRESSURE: 28000 0 0 0 0 0 0 0 0 0 GPRESSURE: 28000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28000 233.2488 728.7965 397.5210 37.1587 -1819.2733 -294.7376 0.0000 0.0000 954.6328 237.3468 313.8798 249.3153 249.4898 313.8798 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28050 TCL: Running for 0 steps PRESSURE: 28050 0 0 0 0 0 0 0 0 0 GPRESSURE: 28050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28050 266.4384 732.3925 406.2724 42.3469 -1817.6967 -289.7716 0.0000 0.0000 954.7926 294.7745 313.9324 307.3877 305.1337 313.9324 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28100 TCL: Running for 0 steps PRESSURE: 28100 0 0 0 0 0 0 0 0 0 GPRESSURE: 28100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28100 234.3982 689.2238 388.0036 49.7920 -1766.2492 -291.4813 0.0000 0.0000 960.5128 264.2000 315.8131 275.8682 277.2989 315.8131 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28150 TCL: Running for 0 steps PRESSURE: 28150 0 0 0 0 0 0 0 0 0 GPRESSURE: 28150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28150 247.5765 689.0491 393.5217 43.9924 -1809.7138 -291.6688 0.0000 0.0000 958.8132 231.5703 315.2543 243.4205 244.0795 315.2543 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28200 TCL: Running for 0 steps PRESSURE: 28200 0 0 0 0 0 0 0 0 0 GPRESSURE: 28200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28200 237.2977 688.7264 393.7447 43.3753 -1840.0601 -281.7065 0.0000 0.0000 951.0323 192.4099 312.6960 203.6452 206.5686 312.6960 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28250 TCL: Running for 0 steps PRESSURE: 28250 0 0 0 0 0 0 0 0 0 GPRESSURE: 28250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28250 225.9854 711.7145 396.2691 42.7782 -1850.1100 -277.7112 0.0000 0.0000 949.9520 198.8781 312.3408 210.4372 211.9637 312.3408 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28300 TCL: Running for 0 steps PRESSURE: 28300 0 0 0 0 0 0 0 0 0 GPRESSURE: 28300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28300 243.1718 685.2526 398.3707 36.2799 -1831.7868 -295.1001 0.0000 0.0000 956.4306 192.6188 314.4709 204.1978 205.5542 314.4709 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28350 TCL: Running for 0 steps PRESSURE: 28350 0 0 0 0 0 0 0 0 0 GPRESSURE: 28350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28350 252.4035 713.9587 375.6278 39.4949 -1844.3920 -297.9130 0.0000 0.0000 954.0186 193.1984 313.6779 205.0440 205.3162 313.6779 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28400 TCL: Running for 0 steps PRESSURE: 28400 0 0 0 0 0 0 0 0 0 GPRESSURE: 28400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28400 226.5101 758.5058 382.4955 46.2395 -1820.8581 -312.9184 0.0000 0.0000 951.4879 231.4621 312.8458 243.8805 241.9878 312.8458 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28450 TCL: Running for 0 steps PRESSURE: 28450 0 0 0 0 0 0 0 0 0 GPRESSURE: 28450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28450 246.1470 719.6555 386.4932 36.7720 -1868.1107 -260.0599 0.0000 0.0000 961.2011 222.0981 316.0395 234.1015 233.8829 316.0395 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28500 TCL: Running for 0 steps PRESSURE: 28500 0 0 0 0 0 0 0 0 0 GPRESSURE: 28500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28500 226.6449 745.7814 385.6405 44.1391 -1779.9589 -291.7126 0.0000 0.0000 957.0292 287.5635 314.6677 300.1097 297.8694 314.6677 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28550 TCL: Running for 0 steps PRESSURE: 28550 0 0 0 0 0 0 0 0 0 GPRESSURE: 28550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28550 229.2597 722.6361 393.7727 42.3672 -1811.8856 -294.5699 0.0000 0.0000 954.2155 235.7957 313.7426 247.7513 247.8659 313.7426 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28600 TCL: Running for 0 steps PRESSURE: 28600 0 0 0 0 0 0 0 0 0 GPRESSURE: 28600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28600 228.6612 710.1342 387.6375 33.8342 -1813.8213 -310.3927 0.0000 0.0000 958.9635 195.0167 315.3037 206.9462 207.1514 315.3037 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28650 TCL: Running for 0 steps PRESSURE: 28650 0 0 0 0 0 0 0 0 0 GPRESSURE: 28650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28650 225.7914 722.1543 378.3764 38.5975 -1808.8528 -284.2555 0.0000 0.0000 957.4114 229.2227 314.7934 241.8353 239.4662 314.7934 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28700 TCL: Running for 0 steps PRESSURE: 28700 0 0 0 0 0 0 0 0 0 GPRESSURE: 28700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28700 241.2751 686.4043 395.1592 37.6022 -1798.8390 -280.9622 0.0000 0.0000 951.4660 232.1055 312.8386 244.0978 244.2030 312.8386 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28750 TCL: Running for 0 steps PRESSURE: 28750 0 0 0 0 0 0 0 0 0 GPRESSURE: 28750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28750 240.5064 684.7768 389.2957 43.9980 -1774.3885 -290.7171 0.0000 0.0000 952.4553 245.9266 313.1639 257.9685 257.8807 313.1639 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28800 TCL: Running for 0 steps PRESSURE: 28800 0 0 0 0 0 0 0 0 0 GPRESSURE: 28800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28800 242.2410 711.4103 400.8275 40.2653 -1824.6397 -293.8780 0.0000 0.0000 956.1749 232.4012 314.3869 244.5595 244.0410 314.3869 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28850 TCL: Running for 0 steps PRESSURE: 28850 0 0 0 0 0 0 0 0 0 GPRESSURE: 28850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28850 263.2557 732.1547 391.9808 53.9238 -1850.7561 -277.8823 0.0000 0.0000 956.6454 269.3221 314.5416 281.8402 280.0048 314.5416 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28900 TCL: Running for 0 steps PRESSURE: 28900 0 0 0 0 0 0 0 0 0 GPRESSURE: 28900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28900 224.3031 708.9429 390.1822 40.2139 -1812.5183 -278.5443 0.0000 0.0000 957.4674 230.0470 314.8118 241.9921 242.4202 314.8118 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 28950 TCL: Running for 0 steps PRESSURE: 28950 0 0 0 0 0 0 0 0 0 GPRESSURE: 28950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 28950 237.4246 752.1214 385.4002 37.1939 -1826.2266 -296.5762 0.0000 0.0000 957.5793 246.9166 314.8486 259.2880 258.0906 314.8486 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29000 TCL: Running for 0 steps PRESSURE: 29000 0 0 0 0 0 0 0 0 0 GPRESSURE: 29000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29000 231.5217 720.4826 380.0216 37.0875 -1828.7673 -292.2005 0.0000 0.0000 958.4637 206.6093 315.1394 218.5793 218.9621 315.1394 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29050 TCL: Running for 0 steps PRESSURE: 29050 0 0 0 0 0 0 0 0 0 GPRESSURE: 29050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29050 215.0228 731.3682 382.2048 45.0348 -1839.7384 -275.7703 0.0000 0.0000 958.5980 216.7199 315.1836 228.1210 230.6133 315.1836 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29100 TCL: Running for 0 steps PRESSURE: 29100 0 0 0 0 0 0 0 0 0 GPRESSURE: 29100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29100 252.1356 679.6499 390.5712 39.8129 -1831.9140 -292.8894 0.0000 0.0000 963.6121 200.9783 316.8322 212.5175 214.3361 316.8322 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29150 TCL: Running for 0 steps PRESSURE: 29150 0 0 0 0 0 0 0 0 0 GPRESSURE: 29150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29150 220.8982 662.2582 392.5684 34.8290 -1833.7281 -275.3317 0.0000 0.0000 957.4064 158.9003 314.7918 170.3561 172.3736 314.7918 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29200 TCL: Running for 0 steps PRESSURE: 29200 0 0 0 0 0 0 0 0 0 GPRESSURE: 29200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29200 250.2412 680.4074 384.2464 40.4088 -1821.1576 -281.0420 0.0000 0.0000 959.8735 212.9776 315.6029 224.7748 225.3859 315.6029 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29250 TCL: Running for 0 steps PRESSURE: 29250 0 0 0 0 0 0 0 0 0 GPRESSURE: 29250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29250 211.2313 722.3403 390.0873 44.4304 -1819.3479 -269.8356 0.0000 0.0000 952.7275 231.6333 313.2534 243.4778 243.8734 313.2534 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29300 TCL: Running for 0 steps PRESSURE: 29300 0 0 0 0 0 0 0 0 0 GPRESSURE: 29300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29300 214.9274 705.7154 399.1362 43.1290 -1848.6090 -270.3746 0.0000 0.0000 954.5747 198.4991 313.8607 210.2000 211.1094 313.8607 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29350 TCL: Running for 0 steps PRESSURE: 29350 0 0 0 0 0 0 0 0 0 GPRESSURE: 29350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29350 225.6135 709.0112 396.0586 46.5069 -1813.3743 -251.7512 0.0000 0.0000 958.0202 270.0849 314.9936 282.1876 281.5335 314.9936 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29400 TCL: Running for 0 steps PRESSURE: 29400 0 0 0 0 0 0 0 0 0 GPRESSURE: 29400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29400 248.4820 690.2486 404.3512 43.9268 -1816.8343 -259.0261 0.0000 0.0000 957.0429 268.1910 314.6723 280.3284 279.5852 314.6723 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29450 TCL: Running for 0 steps PRESSURE: 29450 0 0 0 0 0 0 0 0 0 GPRESSURE: 29450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29450 253.0919 749.5092 385.3885 50.7047 -1830.9986 -276.8245 0.0000 0.0000 955.1582 286.0294 314.0526 298.8738 295.5256 314.0526 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29500 TCL: Running for 0 steps PRESSURE: 29500 0 0 0 0 0 0 0 0 0 GPRESSURE: 29500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29500 223.3032 713.4108 381.8913 39.0563 -1845.8028 -262.6586 0.0000 0.0000 956.1325 205.3328 314.3729 217.2914 217.4743 314.3729 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29550 TCL: Running for 0 steps PRESSURE: 29550 0 0 0 0 0 0 0 0 0 GPRESSURE: 29550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29550 238.6814 700.6191 388.1707 37.6007 -1814.2231 -299.3889 0.0000 0.0000 956.4272 207.8870 314.4698 219.3295 221.4364 314.4698 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29600 TCL: Running for 0 steps PRESSURE: 29600 0 0 0 0 0 0 0 0 0 GPRESSURE: 29600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29600 218.1047 720.8719 373.9295 41.7351 -1808.3455 -283.2681 0.0000 0.0000 951.3375 214.3650 312.7963 226.3081 226.4062 312.7963 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29650 TCL: Running for 0 steps PRESSURE: 29650 0 0 0 0 0 0 0 0 0 GPRESSURE: 29650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29650 245.6435 697.9977 390.7040 53.7369 -1799.9691 -293.6784 0.0000 0.0000 945.7773 240.2118 310.9682 252.1206 252.3410 310.9682 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29700 TCL: Running for 0 steps PRESSURE: 29700 0 0 0 0 0 0 0 0 0 GPRESSURE: 29700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29700 254.3207 740.3054 392.7066 41.1656 -1812.4314 -285.2847 0.0000 0.0000 947.5297 278.3119 311.5444 290.4539 289.7858 311.5444 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29750 TCL: Running for 0 steps PRESSURE: 29750 0 0 0 0 0 0 0 0 0 GPRESSURE: 29750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29750 229.7772 755.0027 373.6068 38.6852 -1831.0986 -280.2293 0.0000 0.0000 950.9116 236.6557 312.6563 248.6380 248.6106 312.6563 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29800 TCL: Running for 0 steps PRESSURE: 29800 0 0 0 0 0 0 0 0 0 GPRESSURE: 29800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29800 225.7975 690.3890 404.9049 51.4337 -1809.2849 -282.2253 0.0000 0.0000 954.3433 235.3583 313.7846 247.2949 247.4405 313.7846 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29850 TCL: Running for 0 steps PRESSURE: 29850 0 0 0 0 0 0 0 0 0 GPRESSURE: 29850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29850 244.0048 738.5966 388.7156 51.0390 -1826.1564 -305.9187 0.0000 0.0000 952.0746 242.3556 313.0387 254.7805 253.0858 313.0387 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29900 TCL: Running for 0 steps PRESSURE: 29900 0 0 0 0 0 0 0 0 0 GPRESSURE: 29900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29900 246.7983 680.1442 392.3682 40.5008 -1811.1593 -284.0140 0.0000 0.0000 950.9290 215.5672 312.6620 227.5872 227.5173 312.6620 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 29950 TCL: Running for 0 steps PRESSURE: 29950 0 0 0 0 0 0 0 0 0 GPRESSURE: 29950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 29950 231.9410 692.3397 370.7067 51.6640 -1822.3963 -284.1743 0.0000 0.0000 951.8928 191.9736 312.9789 203.9268 204.1114 312.9789 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30000 TCL: Running for 0 steps PRESSURE: 30000 0 0 0 0 0 0 0 0 0 GPRESSURE: 30000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30000 229.8618 682.5904 379.1443 48.9266 -1834.3981 -264.7600 0.0000 0.0000 953.1613 194.5264 313.3960 206.1389 207.5896 313.3960 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30050 TCL: Running for 0 steps PRESSURE: 30050 0 0 0 0 0 0 0 0 0 GPRESSURE: 30050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30050 230.1596 682.1725 384.8312 44.9089 -1810.5172 -299.6525 0.0000 0.0000 942.2871 174.1896 309.8206 185.9883 186.6502 309.8206 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30100 TCL: Running for 0 steps PRESSURE: 30100 0 0 0 0 0 0 0 0 0 GPRESSURE: 30100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30100 251.9964 667.3229 385.8619 46.4625 -1833.7455 -287.1895 0.0000 0.0000 947.3348 178.0435 311.4803 189.8959 190.3150 311.4803 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30150 TCL: Running for 0 steps PRESSURE: 30150 0 0 0 0 0 0 0 0 0 GPRESSURE: 30150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30150 233.3981 711.6732 386.9883 41.3906 -1805.8150 -269.7731 0.0000 0.0000 953.3143 251.1764 313.4463 263.3745 262.4710 313.4463 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30200 TCL: Running for 0 steps PRESSURE: 30200 0 0 0 0 0 0 0 0 0 GPRESSURE: 30200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30200 212.9505 730.8571 383.4103 38.1771 -1822.2441 -287.8979 0.0000 0.0000 961.1876 216.4405 316.0350 228.2754 228.7904 316.0350 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30250 TCL: Running for 0 steps PRESSURE: 30250 0 0 0 0 0 0 0 0 0 GPRESSURE: 30250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30250 255.0921 672.7037 383.6554 33.6430 -1833.6004 -285.3611 0.0000 0.0000 951.5428 177.6754 312.8638 189.3146 190.5312 312.8638 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30300 TCL: Running for 0 steps PRESSURE: 30300 0 0 0 0 0 0 0 0 0 GPRESSURE: 30300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30300 243.2791 724.0595 389.9666 39.1698 -1810.7677 -284.8692 0.0000 0.0000 956.9935 257.8315 314.6560 270.2256 268.5352 314.6560 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30350 TCL: Running for 0 steps PRESSURE: 30350 0 0 0 0 0 0 0 0 0 GPRESSURE: 30350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30350 246.8938 752.4290 383.4273 44.1674 -1832.9963 -296.9682 0.0000 0.0000 949.0839 246.0368 312.0554 258.4467 256.8030 312.0554 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30400 TCL: Running for 0 steps PRESSURE: 30400 0 0 0 0 0 0 0 0 0 GPRESSURE: 30400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30400 234.4730 711.0138 383.8192 38.8865 -1785.9810 -288.3644 0.0000 0.0000 953.4977 247.3447 313.5066 259.3913 259.2129 313.5066 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30450 TCL: Running for 0 steps PRESSURE: 30450 0 0 0 0 0 0 0 0 0 GPRESSURE: 30450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30450 248.0167 725.0870 383.7916 37.7524 -1832.4994 -274.3465 0.0000 0.0000 958.3536 246.1556 315.1032 258.3341 257.6720 315.1032 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30500 TCL: Running for 0 steps PRESSURE: 30500 0 0 0 0 0 0 0 0 0 GPRESSURE: 30500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30500 254.9666 727.7128 382.7012 42.2521 -1826.4227 -288.6649 0.0000 0.0000 955.2840 247.8292 314.0940 260.4810 258.0856 314.0940 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30550 TCL: Running for 0 steps PRESSURE: 30550 0 0 0 0 0 0 0 0 0 GPRESSURE: 30550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30550 249.2531 737.2390 410.0060 50.4451 -1829.6907 -299.6054 0.0000 0.0000 952.6632 270.3101 313.2322 282.9463 280.7588 313.2322 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30600 TCL: Running for 0 steps PRESSURE: 30600 0 0 0 0 0 0 0 0 0 GPRESSURE: 30600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30600 238.5978 710.0739 378.9523 42.2007 -1832.5406 -279.7046 0.0000 0.0000 956.9825 214.5620 314.6524 226.5005 227.0661 314.6524 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30650 TCL: Running for 0 steps PRESSURE: 30650 0 0 0 0 0 0 0 0 0 GPRESSURE: 30650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30650 238.0270 735.4258 374.8348 39.8565 -1779.7777 -288.4385 0.0000 0.0000 957.3402 277.2680 314.7700 289.7763 288.1697 314.7700 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30700 TCL: Running for 0 steps PRESSURE: 30700 0 0 0 0 0 0 0 0 0 GPRESSURE: 30700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30700 222.7985 748.7957 370.2172 46.6398 -1819.5599 -271.6784 0.0000 0.0000 954.5963 251.8092 313.8678 264.1250 263.3407 313.8678 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30750 TCL: Running for 0 steps PRESSURE: 30750 0 0 0 0 0 0 0 0 0 GPRESSURE: 30750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30750 264.9866 752.4540 367.4394 39.8085 -1831.4672 -297.8641 0.0000 0.0000 954.5800 249.9371 313.8625 262.3710 261.1932 313.8625 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30800 TCL: Running for 0 steps PRESSURE: 30800 0 0 0 0 0 0 0 0 0 GPRESSURE: 30800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30800 269.6566 637.1281 385.6929 51.2315 -1791.3738 -274.3127 0.0000 0.0000 952.4841 230.5067 313.1733 242.3949 243.3368 313.1733 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30850 TCL: Running for 0 steps PRESSURE: 30850 0 0 0 0 0 0 0 0 0 GPRESSURE: 30850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30850 212.3390 708.2601 388.7058 36.4636 -1787.4604 -257.3172 0.0000 0.0000 953.8400 254.8309 313.6192 266.7420 267.5391 313.6192 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30900 TCL: Running for 0 steps PRESSURE: 30900 0 0 0 0 0 0 0 0 0 GPRESSURE: 30900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30900 240.1001 723.7714 381.9379 38.6142 -1767.3378 -303.6937 0.0000 0.0000 953.1722 266.5643 313.3996 279.0646 277.6025 313.3996 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 30950 TCL: Running for 0 steps PRESSURE: 30950 0 0 0 0 0 0 0 0 0 GPRESSURE: 30950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 30950 222.4349 738.1875 399.0585 40.1564 -1777.6732 -306.3729 0.0000 0.0000 955.0815 270.8727 314.0274 283.1312 282.6670 314.0274 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31000 TCL: Running for 0 steps PRESSURE: 31000 0 0 0 0 0 0 0 0 0 GPRESSURE: 31000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31000 235.6833 664.9616 387.7409 43.3018 -1762.6323 -286.6808 0.0000 0.0000 952.7535 235.1280 313.2619 247.0813 247.7911 313.2619 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31050 TCL: Running for 0 steps PRESSURE: 31050 0 0 0 0 0 0 0 0 0 GPRESSURE: 31050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31050 249.2738 700.2460 372.0244 39.7546 -1764.9618 -308.4829 0.0000 0.0000 948.7448 236.5990 311.9439 248.8498 248.3991 311.9439 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31100 TCL: Running for 0 steps PRESSURE: 31100 0 0 0 0 0 0 0 0 0 GPRESSURE: 31100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31100 234.6842 715.5181 382.4031 39.3176 -1784.4092 -279.8653 0.0000 0.0000 944.7248 252.3733 310.6221 264.5107 264.5136 310.6221 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31150 TCL: Running for 0 steps PRESSURE: 31150 0 0 0 0 0 0 0 0 0 GPRESSURE: 31150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31150 221.6708 765.1220 380.9392 44.0660 -1792.0191 -282.0317 0.0000 0.0000 953.2768 291.0240 313.4340 303.8973 301.1405 313.4340 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31200 TCL: Running for 0 steps PRESSURE: 31200 0 0 0 0 0 0 0 0 0 GPRESSURE: 31200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31200 237.5531 718.2372 379.2721 46.4272 -1789.7350 -278.0779 0.0000 0.0000 950.1074 263.7839 312.3919 276.0103 275.8519 312.3919 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31250 TCL: Running for 0 steps PRESSURE: 31250 0 0 0 0 0 0 0 0 0 GPRESSURE: 31250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31250 245.3073 747.4849 388.1084 41.2322 -1768.3157 -291.4882 0.0000 0.0000 949.9439 312.2728 312.3381 324.6712 323.8773 312.3381 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31300 TCL: Running for 0 steps PRESSURE: 31300 0 0 0 0 0 0 0 0 0 GPRESSURE: 31300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31300 243.8161 704.9646 387.3408 49.0260 -1751.2243 -269.7649 0.0000 0.0000 953.1466 317.3049 313.3912 329.5461 329.3913 313.3912 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31350 TCL: Running for 0 steps PRESSURE: 31350 0 0 0 0 0 0 0 0 0 GPRESSURE: 31350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31350 213.7219 724.9664 388.1383 37.1924 -1779.2946 -290.2534 0.0000 0.0000 953.6537 248.1247 313.5579 259.8632 261.6036 313.5579 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31400 TCL: Running for 0 steps PRESSURE: 31400 0 0 0 0 0 0 0 0 0 GPRESSURE: 31400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31400 237.9349 734.9691 390.2785 40.4858 -1769.8376 -303.1969 0.0000 0.0000 947.7022 278.3360 311.6011 290.4304 290.7270 311.6011 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31450 TCL: Running for 0 steps PRESSURE: 31450 0 0 0 0 0 0 0 0 0 GPRESSURE: 31450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31450 226.3139 706.3454 385.6478 34.4652 -1799.1562 -289.9913 0.0000 0.0000 949.9709 213.5959 312.3470 225.1670 227.4075 312.3470 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31500 TCL: Running for 0 steps PRESSURE: 31500 0 0 0 0 0 0 0 0 0 GPRESSURE: 31500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31500 242.3835 741.4843 388.9957 38.9190 -1797.7071 -277.3973 0.0000 0.0000 946.4329 283.1110 311.1837 295.7182 293.9333 311.1837 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31550 TCL: Running for 0 steps PRESSURE: 31550 0 0 0 0 0 0 0 0 0 GPRESSURE: 31550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31550 222.7821 723.0341 404.0059 47.8637 -1755.4413 -272.1690 0.0000 0.0000 949.0441 319.1196 312.0423 331.7695 329.9359 312.0423 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31600 TCL: Running for 0 steps PRESSURE: 31600 0 0 0 0 0 0 0 0 0 GPRESSURE: 31600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31600 268.2861 724.7078 390.2867 48.7384 -1798.9426 -288.0620 0.0000 0.0000 947.9818 292.9962 311.6930 305.4879 304.3624 311.6930 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31650 TCL: Running for 0 steps PRESSURE: 31650 0 0 0 0 0 0 0 0 0 GPRESSURE: 31650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31650 234.4735 713.1843 399.2564 40.2147 -1789.8711 -298.1921 0.0000 0.0000 956.0493 255.1150 314.3456 267.2488 267.5360 314.3456 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31700 TCL: Running for 0 steps PRESSURE: 31700 0 0 0 0 0 0 0 0 0 GPRESSURE: 31700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31700 202.9895 746.0891 406.2957 45.0984 -1824.9953 -282.1790 0.0000 0.0000 955.2231 248.5216 314.0739 260.4967 261.3608 314.0739 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31750 TCL: Running for 0 steps PRESSURE: 31750 0 0 0 0 0 0 0 0 0 GPRESSURE: 31750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31750 235.5083 735.1755 379.2437 38.4111 -1816.3740 -293.8514 0.0000 0.0000 959.3441 237.4574 315.4289 249.7238 249.4415 315.4289 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31800 TCL: Running for 0 steps PRESSURE: 31800 0 0 0 0 0 0 0 0 0 GPRESSURE: 31800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31800 246.7873 677.7926 382.7131 35.4573 -1822.5938 -266.2134 0.0000 0.0000 952.0805 206.0237 313.0407 217.8537 219.2255 313.0407 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31850 TCL: Running for 0 steps PRESSURE: 31850 0 0 0 0 0 0 0 0 0 GPRESSURE: 31850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31850 253.1795 689.2199 402.5094 43.8517 -1826.0510 -271.8959 0.0000 0.0000 953.3444 244.1580 313.4562 256.0791 257.0235 313.4562 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31900 TCL: Running for 0 steps PRESSURE: 31900 0 0 0 0 0 0 0 0 0 GPRESSURE: 31900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31900 222.6875 711.5393 391.4672 47.8252 -1842.5533 -280.2805 0.0000 0.0000 956.6256 207.3109 314.5350 219.1692 220.2904 314.5350 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 31950 TCL: Running for 0 steps PRESSURE: 31950 0 0 0 0 0 0 0 0 0 GPRESSURE: 31950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 31950 239.6561 697.6458 386.5929 40.5474 -1800.1633 -291.3532 0.0000 0.0000 952.6842 225.6099 313.2392 237.5270 238.3574 313.2392 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32000 TCL: Running for 0 steps PRESSURE: 32000 0 0 0 0 0 0 0 0 0 GPRESSURE: 32000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32000 235.1443 722.9689 372.7316 34.0981 -1827.5792 -284.5196 0.0000 0.0000 952.5444 205.3886 313.1932 216.9160 219.1557 313.1932 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32050 TCL: Running for 0 steps PRESSURE: 32050 0 0 0 0 0 0 0 0 0 GPRESSURE: 32050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32050 259.6613 700.9323 385.7657 47.5495 -1819.2917 -287.8205 0.0000 0.0000 949.6036 236.4002 312.2262 248.8207 247.5713 312.2262 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32100 TCL: Running for 0 steps PRESSURE: 32100 0 0 0 0 0 0 0 0 0 GPRESSURE: 32100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32100 240.5417 692.4609 379.4597 38.9003 -1815.0220 -270.4636 0.0000 0.0000 952.1565 218.0336 313.0656 229.8844 230.8496 313.0656 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32150 TCL: Running for 0 steps PRESSURE: 32150 0 0 0 0 0 0 0 0 0 GPRESSURE: 32150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32150 221.5858 749.3083 384.1403 37.9661 -1814.9380 -280.6111 0.0000 0.0000 956.1711 253.6226 314.3856 265.9737 265.0027 314.3856 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32200 TCL: Running for 0 steps PRESSURE: 32200 0 0 0 0 0 0 0 0 0 GPRESSURE: 32200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32200 256.0908 691.0705 376.1791 40.0542 -1788.9070 -271.1574 0.0000 0.0000 947.6781 251.0083 311.5932 263.3174 262.5646 311.5932 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32250 TCL: Running for 0 steps PRESSURE: 32250 0 0 0 0 0 0 0 0 0 GPRESSURE: 32250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32250 227.5949 730.0637 391.8400 43.8633 -1803.0345 -286.4942 0.0000 0.0000 957.9856 261.8188 314.9822 274.4058 272.6577 314.9822 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32300 TCL: Running for 0 steps PRESSURE: 32300 0 0 0 0 0 0 0 0 0 GPRESSURE: 32300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32300 250.5056 721.5733 379.8416 37.5826 -1825.4833 -278.2411 0.0000 0.0000 947.8742 233.6530 311.6576 245.9866 245.2984 311.6576 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32350 TCL: Running for 0 steps PRESSURE: 32350 0 0 0 0 0 0 0 0 0 GPRESSURE: 32350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32350 218.9469 723.2366 386.3865 42.0984 -1851.0412 -274.0888 0.0000 0.0000 953.1203 198.6587 313.3825 210.7608 210.9835 313.3825 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32400 TCL: Running for 0 steps PRESSURE: 32400 0 0 0 0 0 0 0 0 0 GPRESSURE: 32400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32400 227.5201 719.0892 376.2983 51.3461 -1821.6356 -281.7329 0.0000 0.0000 951.8291 222.7142 312.9580 234.9900 234.5475 312.9580 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32450 TCL: Running for 0 steps PRESSURE: 32450 0 0 0 0 0 0 0 0 0 GPRESSURE: 32450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32450 243.0485 719.4168 393.5692 36.7052 -1803.2763 -288.5570 0.0000 0.0000 955.9972 256.9036 314.3284 269.1440 268.8618 314.3284 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32500 TCL: Running for 0 steps PRESSURE: 32500 0 0 0 0 0 0 0 0 0 GPRESSURE: 32500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32500 251.5854 717.8826 385.9153 35.9305 -1844.1228 -281.0644 0.0000 0.0000 951.6228 217.7493 312.8901 229.7029 230.5137 312.8901 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32550 TCL: Running for 0 steps PRESSURE: 32550 0 0 0 0 0 0 0 0 0 GPRESSURE: 32550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32550 248.5716 725.2518 393.0496 49.9504 -1817.6842 -283.0368 0.0000 0.0000 944.1790 260.2814 310.4427 273.2186 270.2903 310.4427 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32600 TCL: Running for 0 steps PRESSURE: 32600 0 0 0 0 0 0 0 0 0 GPRESSURE: 32600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32600 256.9097 712.3630 395.2979 40.9580 -1794.4622 -296.8948 0.0000 0.0000 956.3381 270.5097 314.4405 283.0464 281.8030 314.4405 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32650 TCL: Running for 0 steps PRESSURE: 32650 0 0 0 0 0 0 0 0 0 GPRESSURE: 32650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32650 258.0274 700.0063 384.1974 40.0101 -1783.7200 -293.4807 0.0000 0.0000 951.1113 256.1518 312.7220 268.4637 268.1410 312.7220 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32700 TCL: Running for 0 steps PRESSURE: 32700 0 0 0 0 0 0 0 0 0 GPRESSURE: 32700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32700 240.5766 742.6219 396.4022 51.9268 -1796.7099 -311.3999 0.0000 0.0000 947.1914 270.6090 311.4331 283.0061 282.3841 311.4331 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32750 TCL: Running for 0 steps PRESSURE: 32750 0 0 0 0 0 0 0 0 0 GPRESSURE: 32750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32750 241.3737 721.7065 390.5509 53.8659 -1765.6692 -288.7616 0.0000 0.0000 947.7327 300.7989 311.6111 313.5630 311.6035 311.6111 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32800 TCL: Running for 0 steps PRESSURE: 32800 0 0 0 0 0 0 0 0 0 GPRESSURE: 32800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32800 266.9182 706.2012 378.2876 52.1869 -1818.6178 -296.6290 0.0000 0.0000 943.2709 231.6178 310.1441 243.8338 244.0523 310.1441 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32850 TCL: Running for 0 steps PRESSURE: 32850 0 0 0 0 0 0 0 0 0 GPRESSURE: 32850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32850 260.3027 693.6178 389.4552 38.8578 -1804.0264 -295.2726 0.0000 0.0000 950.7025 233.6371 312.5876 245.6513 246.6128 312.5876 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32900 TCL: Running for 0 steps PRESSURE: 32900 0 0 0 0 0 0 0 0 0 GPRESSURE: 32900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32900 234.9665 695.5694 399.4569 51.8846 -1814.3093 -306.8772 0.0000 0.0000 950.6422 211.3331 312.5677 223.3144 224.3392 312.5677 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 32950 TCL: Running for 0 steps PRESSURE: 32950 0 0 0 0 0 0 0 0 0 GPRESSURE: 32950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 32950 235.4854 715.1921 389.5636 44.8860 -1835.2452 -284.4993 0.0000 0.0000 945.0316 210.4142 310.7230 222.8138 222.2057 310.7230 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33000 TCL: Running for 0 steps PRESSURE: 33000 0 0 0 0 0 0 0 0 0 GPRESSURE: 33000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33000 236.8934 722.9768 391.5178 46.2496 -1821.3555 -286.6223 0.0000 0.0000 948.7137 238.3736 311.9337 251.0946 249.3195 311.9337 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33050 TCL: Running for 0 steps PRESSURE: 33050 0 0 0 0 0 0 0 0 0 GPRESSURE: 33050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33050 237.0540 707.9998 379.0851 45.3108 -1839.5027 -268.3531 0.0000 0.0000 948.8789 210.4728 311.9880 222.7210 222.8296 311.9880 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33100 TCL: Running for 0 steps PRESSURE: 33100 0 0 0 0 0 0 0 0 0 GPRESSURE: 33100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33100 242.2538 706.2222 382.6767 34.1816 -1811.1016 -301.3193 0.0000 0.0000 954.1333 207.0466 313.7156 219.1319 219.8449 313.7156 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33150 TCL: Running for 0 steps PRESSURE: 33150 0 0 0 0 0 0 0 0 0 GPRESSURE: 33150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33150 232.9809 774.5797 382.9360 41.4920 -1821.1848 -313.6241 0.0000 0.0000 947.6913 244.8710 311.5975 257.6820 255.6288 311.5975 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33200 TCL: Running for 0 steps PRESSURE: 33200 0 0 0 0 0 0 0 0 0 GPRESSURE: 33200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33200 231.1068 731.4651 385.4330 43.2140 -1824.5127 -315.6046 0.0000 0.0000 950.2901 201.3917 312.4520 212.8760 215.9265 312.4520 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33250 TCL: Running for 0 steps PRESSURE: 33250 0 0 0 0 0 0 0 0 0 GPRESSURE: 33250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33250 237.3685 729.1785 389.9546 43.7185 -1839.5733 -278.0817 0.0000 0.0000 947.2461 229.8112 311.4511 242.2698 241.4760 311.4511 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33300 TCL: Running for 0 steps PRESSURE: 33300 0 0 0 0 0 0 0 0 0 GPRESSURE: 33300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33300 226.9955 716.9804 379.1582 38.3716 -1842.0966 -305.5627 0.0000 0.0000 952.3635 166.2098 313.1337 177.9719 179.8396 313.1337 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33350 TCL: Running for 0 steps PRESSURE: 33350 0 0 0 0 0 0 0 0 0 GPRESSURE: 33350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33350 258.7727 711.3945 376.5834 37.9395 -1852.5870 -289.8631 0.0000 0.0000 948.4841 190.7241 311.8582 202.5974 203.9314 311.8582 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33400 TCL: Running for 0 steps PRESSURE: 33400 0 0 0 0 0 0 0 0 0 GPRESSURE: 33400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33400 227.1465 740.3076 376.0478 38.6895 -1788.5695 -306.6576 0.0000 0.0000 957.5827 244.5469 314.8497 256.3665 257.8185 314.8497 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33450 TCL: Running for 0 steps PRESSURE: 33450 0 0 0 0 0 0 0 0 0 GPRESSURE: 33450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33450 246.4796 688.8037 383.5326 40.9518 -1815.1532 -290.4441 0.0000 0.0000 952.6494 206.8198 313.2277 218.7326 219.7443 313.2277 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33500 TCL: Running for 0 steps PRESSURE: 33500 0 0 0 0 0 0 0 0 0 GPRESSURE: 33500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33500 229.6245 731.6879 390.9906 49.0350 -1842.8057 -288.0813 0.0000 0.0000 953.5763 224.0274 313.5325 236.3284 235.8210 313.5325 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33550 TCL: Running for 0 steps PRESSURE: 33550 0 0 0 0 0 0 0 0 0 GPRESSURE: 33550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33550 220.6183 685.6926 382.3692 35.1190 -1808.3980 -292.5766 0.0000 0.0000 961.1081 183.9326 316.0089 195.1359 198.7765 316.0089 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33600 TCL: Running for 0 steps PRESSURE: 33600 0 0 0 0 0 0 0 0 0 GPRESSURE: 33600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33600 231.9114 706.1113 378.4012 37.2807 -1794.2398 -285.8996 0.0000 0.0000 954.2567 227.8219 313.7562 239.4510 241.2677 313.7562 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33650 TCL: Running for 0 steps PRESSURE: 33650 0 0 0 0 0 0 0 0 0 GPRESSURE: 33650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33650 224.4246 710.8563 385.2081 43.1907 -1796.0406 -304.3952 0.0000 0.0000 956.4511 219.6949 314.4777 231.0561 233.7636 314.4777 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33700 TCL: Running for 0 steps PRESSURE: 33700 0 0 0 0 0 0 0 0 0 GPRESSURE: 33700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33700 246.6631 732.3746 395.3743 40.5645 -1800.2675 -323.1543 0.0000 0.0000 949.9551 241.5098 312.3418 253.3387 254.1231 312.3418 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33750 TCL: Running for 0 steps PRESSURE: 33750 0 0 0 0 0 0 0 0 0 GPRESSURE: 33750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33750 235.0525 712.1139 379.0743 38.8346 -1797.5252 -298.4917 0.0000 0.0000 951.0204 220.0788 312.6921 231.5843 233.5327 312.6921 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33800 TCL: Running for 0 steps PRESSURE: 33800 0 0 0 0 0 0 0 0 0 GPRESSURE: 33800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33800 211.7671 690.9633 379.1152 39.3413 -1798.3247 -287.8302 0.0000 0.0000 953.6932 188.7252 313.5709 199.9184 202.9160 313.5709 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33850 TCL: Running for 0 steps PRESSURE: 33850 0 0 0 0 0 0 0 0 0 GPRESSURE: 33850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33850 215.0941 686.1452 383.3823 40.2106 -1773.2030 -285.6519 0.0000 0.0000 958.1318 224.1089 315.0303 235.6506 237.1539 315.0303 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33900 TCL: Running for 0 steps PRESSURE: 33900 0 0 0 0 0 0 0 0 0 GPRESSURE: 33900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33900 218.3241 707.7368 389.8215 43.2567 -1815.8115 -275.6849 0.0000 0.0000 959.9051 227.5479 315.6133 238.9347 240.9250 315.6133 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 33950 TCL: Running for 0 steps PRESSURE: 33950 0 0 0 0 0 0 0 0 0 GPRESSURE: 33950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 33950 236.4482 718.7962 390.0402 43.3476 -1821.5743 -286.0923 0.0000 0.0000 959.9364 240.9021 315.6236 252.5071 253.5547 315.6236 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34000 TCL: Running for 0 steps PRESSURE: 34000 0 0 0 0 0 0 0 0 0 GPRESSURE: 34000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34000 245.6659 726.4619 387.0721 48.9802 -1811.2444 -282.5903 0.0000 0.0000 951.0259 265.3713 312.6939 277.5942 276.2593 312.6939 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34050 TCL: Running for 0 steps PRESSURE: 34050 0 0 0 0 0 0 0 0 0 GPRESSURE: 34050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34050 254.2768 700.2509 373.5922 43.0622 -1810.5679 -276.6692 0.0000 0.0000 952.7049 236.6499 313.2459 248.6430 248.2532 313.2459 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34100 TCL: Running for 0 steps PRESSURE: 34100 0 0 0 0 0 0 0 0 0 GPRESSURE: 34100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34100 212.0813 734.5297 404.3548 44.3004 -1840.7634 -281.5010 0.0000 0.0000 958.6790 231.6808 315.2102 243.5784 243.5713 315.2102 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34150 TCL: Running for 0 steps PRESSURE: 34150 0 0 0 0 0 0 0 0 0 GPRESSURE: 34150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34150 239.1986 737.5827 396.6306 37.6340 -1838.9353 -282.5333 0.0000 0.0000 954.8852 244.4624 313.9628 256.1608 256.9010 313.9628 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34200 TCL: Running for 0 steps PRESSURE: 34200 0 0 0 0 0 0 0 0 0 GPRESSURE: 34200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34200 261.6951 719.4985 397.9591 44.2527 -1822.2187 -305.9035 0.0000 0.0000 954.3281 249.6112 313.7796 261.7521 260.7868 313.7796 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34250 TCL: Running for 0 steps PRESSURE: 34250 0 0 0 0 0 0 0 0 0 GPRESSURE: 34250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34250 227.7445 716.3095 394.3063 42.2765 -1828.2183 -289.5708 0.0000 0.0000 952.1114 214.9591 313.0508 226.9690 226.5549 313.0508 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34300 TCL: Running for 0 steps PRESSURE: 34300 0 0 0 0 0 0 0 0 0 GPRESSURE: 34300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34300 214.2297 719.8663 384.1305 40.0165 -1801.6847 -297.2260 0.0000 0.0000 950.1674 209.4999 312.4116 221.5500 221.0110 312.4116 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34350 TCL: Running for 0 steps PRESSURE: 34350 0 0 0 0 0 0 0 0 0 GPRESSURE: 34350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34350 267.4512 713.4952 388.4851 38.2846 -1816.3656 -277.4242 0.0000 0.0000 945.1173 259.0437 310.7512 271.4949 269.4854 310.7512 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34400 TCL: Running for 0 steps PRESSURE: 34400 0 0 0 0 0 0 0 0 0 GPRESSURE: 34400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34400 228.5094 704.0706 381.3439 50.7850 -1781.1107 -287.4768 0.0000 0.0000 951.9697 248.0910 313.0042 260.5119 258.7419 313.0042 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34450 TCL: Running for 0 steps PRESSURE: 34450 0 0 0 0 0 0 0 0 0 GPRESSURE: 34450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34450 257.2825 710.5831 375.2851 34.7033 -1753.6280 -292.0756 0.0000 0.0000 957.3080 289.4585 314.7594 302.1087 299.5893 314.7594 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34500 TCL: Running for 0 steps PRESSURE: 34500 0 0 0 0 0 0 0 0 0 GPRESSURE: 34500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34500 220.1073 702.5673 361.9894 38.4710 -1823.9928 -294.6053 0.0000 0.0000 952.3235 156.8603 313.1205 168.1490 170.8927 313.1205 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34550 TCL: Running for 0 steps PRESSURE: 34550 0 0 0 0 0 0 0 0 0 GPRESSURE: 34550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34550 231.2222 728.5756 377.6560 52.5072 -1830.0361 -286.6221 0.0000 0.0000 954.9624 228.2651 313.9882 240.5056 239.5087 313.9882 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34600 TCL: Running for 0 steps PRESSURE: 34600 0 0 0 0 0 0 0 0 0 GPRESSURE: 34600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34600 230.2910 765.7989 376.7348 34.6684 -1836.7944 -294.0566 0.0000 0.0000 952.7606 229.4026 313.2643 241.8308 240.1925 313.2643 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34650 TCL: Running for 0 steps PRESSURE: 34650 0 0 0 0 0 0 0 0 0 GPRESSURE: 34650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34650 234.7900 741.3187 388.2905 46.6925 -1792.6497 -293.0504 0.0000 0.0000 953.8525 279.2439 313.6233 291.6454 290.2095 313.6233 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34700 TCL: Running for 0 steps PRESSURE: 34700 0 0 0 0 0 0 0 0 0 GPRESSURE: 34700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34700 236.4069 720.9481 385.3017 41.9263 -1794.9511 -285.8893 0.0000 0.0000 954.3128 258.0554 313.7746 270.4783 269.0519 313.7746 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34750 TCL: Running for 0 steps PRESSURE: 34750 0 0 0 0 0 0 0 0 0 GPRESSURE: 34750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34750 216.3285 676.7383 388.9935 35.6239 -1804.9505 -274.8955 0.0000 0.0000 950.6786 188.5168 312.5797 200.1140 201.8730 312.5797 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34800 TCL: Running for 0 steps PRESSURE: 34800 0 0 0 0 0 0 0 0 0 GPRESSURE: 34800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34800 242.2931 729.4839 378.6933 41.7089 -1782.1221 -301.6665 0.0000 0.0000 949.5106 257.9012 312.1957 270.1839 269.2624 312.1957 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34850 TCL: Running for 0 steps PRESSURE: 34850 0 0 0 0 0 0 0 0 0 GPRESSURE: 34850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34850 237.6630 716.8095 385.5900 42.9769 -1800.4571 -300.1518 0.0000 0.0000 950.3854 232.8159 312.4833 244.5449 245.7573 312.4833 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34900 TCL: Running for 0 steps PRESSURE: 34900 0 0 0 0 0 0 0 0 0 GPRESSURE: 34900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34900 249.6335 685.5726 389.3022 43.1034 -1769.3164 -287.8079 0.0000 0.0000 947.8063 258.2937 311.6353 270.2707 270.4774 311.6353 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 34950 TCL: Running for 0 steps PRESSURE: 34950 0 0 0 0 0 0 0 0 0 GPRESSURE: 34950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 34950 238.9669 682.6337 389.1104 43.6273 -1758.4464 -257.8283 0.0000 0.0000 948.2250 286.2887 311.7730 298.4336 297.9977 311.7730 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35000 TCL: Running for 0 steps PRESSURE: 35000 0 0 0 0 0 0 0 0 0 GPRESSURE: 35000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35000 243.0099 716.7868 381.7253 36.3323 -1776.3772 -297.0305 0.0000 0.0000 945.6138 250.0606 310.9144 262.0443 262.2399 310.9144 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35050 TCL: Running for 0 steps PRESSURE: 35050 0 0 0 0 0 0 0 0 0 GPRESSURE: 35050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35050 230.7791 689.7487 382.1851 43.4233 -1767.4969 -285.4266 0.0000 0.0000 948.4872 241.6999 311.8592 253.4928 254.3917 311.8592 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35100 TCL: Running for 0 steps PRESSURE: 35100 0 0 0 0 0 0 0 0 0 GPRESSURE: 35100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35100 240.3354 708.9008 390.1674 47.7098 -1793.7980 -301.9807 0.0000 0.0000 947.9899 239.3246 311.6957 251.1333 251.9171 311.6957 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35150 TCL: Running for 0 steps PRESSURE: 35150 0 0 0 0 0 0 0 0 0 GPRESSURE: 35150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35150 259.1569 718.1189 394.6932 46.1440 -1799.8134 -306.5988 0.0000 0.0000 949.9083 261.6092 312.3264 273.1007 275.0250 312.3264 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35200 TCL: Running for 0 steps PRESSURE: 35200 0 0 0 0 0 0 0 0 0 GPRESSURE: 35200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35200 226.7514 725.0454 403.6106 41.8694 -1770.9615 -289.0863 0.0000 0.0000 945.7670 282.9961 310.9648 295.0478 294.7508 310.9648 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35250 TCL: Running for 0 steps PRESSURE: 35250 0 0 0 0 0 0 0 0 0 GPRESSURE: 35250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35250 223.4078 718.1324 393.6552 39.6036 -1779.3829 -257.1448 0.0000 0.0000 942.2664 280.5377 309.8138 292.5551 292.4056 309.8138 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35300 TCL: Running for 0 steps PRESSURE: 35300 0 0 0 0 0 0 0 0 0 GPRESSURE: 35300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35300 267.9301 722.3860 397.1977 42.3997 -1791.7834 -283.7629 0.0000 0.0000 945.9205 300.2878 311.0153 312.8995 310.5306 311.0153 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35350 TCL: Running for 0 steps PRESSURE: 35350 0 0 0 0 0 0 0 0 0 GPRESSURE: 35350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35350 220.7118 745.4574 389.1517 36.1952 -1813.5784 -287.0019 0.0000 0.0000 948.4751 239.4110 311.8552 251.4934 251.2574 311.8552 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35400 TCL: Running for 0 steps PRESSURE: 35400 0 0 0 0 0 0 0 0 0 GPRESSURE: 35400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35400 219.9647 694.4805 389.0409 33.4921 -1807.7098 -283.1160 0.0000 0.0000 956.8051 202.9576 314.5941 214.4413 216.4652 314.5941 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35450 TCL: Running for 0 steps PRESSURE: 35450 0 0 0 0 0 0 0 0 0 GPRESSURE: 35450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35450 224.1902 711.1986 394.9795 39.3130 -1776.6053 -308.7194 0.0000 0.0000 948.4638 232.8204 311.8515 244.7132 245.0765 311.8515 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35500 TCL: Running for 0 steps PRESSURE: 35500 0 0 0 0 0 0 0 0 0 GPRESSURE: 35500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35500 254.1501 735.1833 375.7660 35.6339 -1806.2949 -309.3601 0.0000 0.0000 948.4958 233.5742 311.8620 246.0324 244.2528 311.8620 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35550 TCL: Running for 0 steps PRESSURE: 35550 0 0 0 0 0 0 0 0 0 GPRESSURE: 35550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35550 233.5013 693.7084 376.1389 35.7513 -1838.8456 -269.9467 0.0000 0.0000 947.9442 178.2518 311.6806 189.5108 192.3395 311.6806 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35600 TCL: Running for 0 steps PRESSURE: 35600 0 0 0 0 0 0 0 0 0 GPRESSURE: 35600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35600 246.7374 693.0971 372.7470 40.7818 -1786.0043 -282.8684 0.0000 0.0000 940.7403 225.2309 309.3120 237.4673 236.4538 309.3120 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35650 TCL: Running for 0 steps PRESSURE: 35650 0 0 0 0 0 0 0 0 0 GPRESSURE: 35650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35650 240.5535 688.4951 387.2235 45.9443 -1780.4904 -288.1771 0.0000 0.0000 940.8444 234.3935 309.3463 246.2818 246.6368 309.3463 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35700 TCL: Running for 0 steps PRESSURE: 35700 0 0 0 0 0 0 0 0 0 GPRESSURE: 35700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35700 241.9096 712.6783 379.2439 34.6858 -1796.3099 -287.0091 0.0000 0.0000 947.3342 232.5329 311.4801 244.4160 244.7688 311.4801 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35750 TCL: Running for 0 steps PRESSURE: 35750 0 0 0 0 0 0 0 0 0 GPRESSURE: 35750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35750 242.4912 712.0855 387.7533 55.0083 -1815.5557 -301.4530 0.0000 0.0000 946.7047 227.0344 311.2731 238.8239 239.5055 311.2731 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35800 TCL: Running for 0 steps PRESSURE: 35800 0 0 0 0 0 0 0 0 0 GPRESSURE: 35800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35800 220.3942 722.4579 390.6834 44.1938 -1792.0825 -271.1828 0.0000 0.0000 945.0521 259.5161 310.7297 271.6510 270.9948 310.7297 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35850 TCL: Running for 0 steps PRESSURE: 35850 0 0 0 0 0 0 0 0 0 GPRESSURE: 35850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35850 223.7357 741.8894 384.5821 32.2153 -1779.9898 -289.9761 0.0000 0.0000 949.7517 262.2084 312.2750 274.3605 273.6807 312.2750 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35900 TCL: Running for 0 steps PRESSURE: 35900 0 0 0 0 0 0 0 0 0 GPRESSURE: 35900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35900 223.4663 724.9281 396.0208 51.5498 -1783.7574 -288.9877 0.0000 0.0000 950.3710 273.5908 312.4785 285.5240 285.7074 312.4785 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 35950 TCL: Running for 0 steps PRESSURE: 35950 0 0 0 0 0 0 0 0 0 GPRESSURE: 35950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 35950 248.5512 731.5709 396.9076 42.1076 -1784.8570 -282.6220 0.0000 0.0000 947.0208 298.6791 311.3770 311.0820 309.4928 311.3770 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36000 TCL: Running for 0 steps PRESSURE: 36000 0 0 0 0 0 0 0 0 0 GPRESSURE: 36000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36000 247.8141 719.1941 389.3823 52.0365 -1792.6849 -281.5520 0.0000 0.0000 950.0000 284.1901 312.3566 296.2705 295.9901 312.3566 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36050 TCL: Running for 0 steps PRESSURE: 36050 0 0 0 0 0 0 0 0 0 GPRESSURE: 36050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36050 225.4716 740.3376 394.8416 47.4016 -1743.8598 -313.3176 0.0000 0.0000 944.8167 295.6916 310.6523 307.9499 307.0197 310.6523 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36100 TCL: Running for 0 steps PRESSURE: 36100 0 0 0 0 0 0 0 0 0 GPRESSURE: 36100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36100 224.3423 713.0932 394.1909 31.0512 -1767.3720 -288.5502 0.0000 0.0000 950.7564 257.5118 312.6053 269.4764 269.7056 312.6053 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36150 TCL: Running for 0 steps PRESSURE: 36150 0 0 0 0 0 0 0 0 0 GPRESSURE: 36150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36150 226.0307 761.7890 394.7395 37.4095 -1789.3119 -283.0343 0.0000 0.0000 949.1848 296.8074 312.0885 309.2820 307.5845 312.0885 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36200 TCL: Running for 0 steps PRESSURE: 36200 0 0 0 0 0 0 0 0 0 GPRESSURE: 36200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36200 226.1815 685.0881 402.2137 34.3745 -1772.4780 -292.1118 0.0000 0.0000 946.7574 230.0253 311.2904 241.8644 242.6560 311.2904 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36250 TCL: Running for 0 steps PRESSURE: 36250 0 0 0 0 0 0 0 0 0 GPRESSURE: 36250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36250 232.9253 708.9029 392.1523 45.1002 -1782.4054 -287.5173 0.0000 0.0000 950.9061 260.0641 312.6545 271.9673 272.4690 312.6545 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36300 TCL: Running for 0 steps PRESSURE: 36300 0 0 0 0 0 0 0 0 0 GPRESSURE: 36300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36300 261.4255 706.7108 408.9113 39.6678 -1824.4474 -274.8260 0.0000 0.0000 951.5080 268.9500 312.8524 281.4737 279.6172 312.8524 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36350 TCL: Running for 0 steps PRESSURE: 36350 0 0 0 0 0 0 0 0 0 GPRESSURE: 36350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36350 231.1636 727.6698 397.1320 45.6440 -1831.1319 -287.7031 0.0000 0.0000 945.7239 228.4984 310.9506 240.8330 239.8018 310.9506 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36400 TCL: Running for 0 steps PRESSURE: 36400 0 0 0 0 0 0 0 0 0 GPRESSURE: 36400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36400 241.3519 731.6922 393.4343 35.8438 -1806.5127 -298.3183 0.0000 0.0000 947.4575 244.9487 311.5206 257.5522 255.5771 311.5206 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36450 TCL: Running for 0 steps PRESSURE: 36450 0 0 0 0 0 0 0 0 0 GPRESSURE: 36450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36450 269.2413 713.1939 394.2612 47.1979 -1823.6052 -294.5951 0.0000 0.0000 945.9551 251.6490 311.0266 264.2926 262.2906 311.0266 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36500 TCL: Running for 0 steps PRESSURE: 36500 0 0 0 0 0 0 0 0 0 GPRESSURE: 36500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36500 231.2270 712.7041 388.0487 39.6069 -1816.5448 -297.4817 0.0000 0.0000 951.1031 208.6634 312.7193 220.5759 221.4406 312.7193 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36550 TCL: Running for 0 steps PRESSURE: 36550 0 0 0 0 0 0 0 0 0 GPRESSURE: 36550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36550 245.2687 702.1363 394.5862 35.1552 -1845.0424 -261.6820 0.0000 0.0000 948.5622 218.9842 311.8838 230.6681 232.3361 311.8838 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36600 TCL: Running for 0 steps PRESSURE: 36600 0 0 0 0 0 0 0 0 0 GPRESSURE: 36600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36600 247.2831 718.1938 399.3555 39.3198 -1838.1107 -290.7544 0.0000 0.0000 948.3413 223.6284 311.8112 235.3588 236.7482 311.8112 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36650 TCL: Running for 0 steps PRESSURE: 36650 0 0 0 0 0 0 0 0 0 GPRESSURE: 36650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36650 221.1933 719.5940 384.4059 34.2693 -1841.1542 -277.2649 0.0000 0.0000 946.3616 187.4049 311.1603 198.9198 201.0304 311.1603 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36700 TCL: Running for 0 steps PRESSURE: 36700 0 0 0 0 0 0 0 0 0 GPRESSURE: 36700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36700 251.7530 749.3149 392.5994 39.9322 -1853.4489 -304.5245 0.0000 0.0000 948.5537 224.1799 311.8811 236.5142 235.4199 311.8811 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36750 TCL: Running for 0 steps PRESSURE: 36750 0 0 0 0 0 0 0 0 0 GPRESSURE: 36750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36750 234.0030 708.7852 387.5331 47.6163 -1785.2570 -305.1034 0.0000 0.0000 952.0635 239.6407 313.0350 251.7157 251.6623 313.0350 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36800 TCL: Running for 0 steps PRESSURE: 36800 0 0 0 0 0 0 0 0 0 GPRESSURE: 36800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36800 243.3828 695.2644 380.5385 40.2732 -1838.2862 -287.7259 0.0000 0.0000 950.8626 184.3093 312.6402 196.0281 197.3135 312.6402 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36850 TCL: Running for 0 steps PRESSURE: 36850 0 0 0 0 0 0 0 0 0 GPRESSURE: 36850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36850 254.4643 702.8677 378.9800 43.5143 -1795.4001 -286.7263 0.0000 0.0000 951.7740 249.4740 312.9399 261.9981 260.1838 312.9399 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36900 TCL: Running for 0 steps PRESSURE: 36900 0 0 0 0 0 0 0 0 0 GPRESSURE: 36900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36900 249.6758 680.9311 377.4592 38.5893 -1817.4832 -281.1408 0.0000 0.0000 944.2258 192.2571 310.4580 203.7011 206.0505 310.4580 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 36950 TCL: Running for 0 steps PRESSURE: 36950 0 0 0 0 0 0 0 0 0 GPRESSURE: 36950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 36950 235.4909 701.5890 389.2619 44.2147 -1798.2728 -291.8362 0.0000 0.0000 953.1197 233.5672 313.3823 245.6123 245.5607 313.3823 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37000 TCL: Running for 0 steps PRESSURE: 37000 0 0 0 0 0 0 0 0 0 GPRESSURE: 37000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37000 239.6158 693.3600 380.7317 42.9909 -1802.0201 -277.3638 0.0000 0.0000 948.9343 226.2489 312.0062 238.6010 237.4012 312.0062 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37050 TCL: Running for 0 steps PRESSURE: 37050 0 0 0 0 0 0 0 0 0 GPRESSURE: 37050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37050 235.6784 704.4772 383.1389 47.4333 -1816.4209 -288.7332 0.0000 0.0000 951.0007 216.5744 312.6856 228.2813 229.5760 312.6856 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37100 TCL: Running for 0 steps PRESSURE: 37100 0 0 0 0 0 0 0 0 0 GPRESSURE: 37100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37100 242.5582 709.4192 399.5734 49.1785 -1787.5435 -307.0681 0.0000 0.0000 950.9538 257.0715 312.6702 269.0396 269.2741 312.6702 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37150 TCL: Running for 0 steps PRESSURE: 37150 0 0 0 0 0 0 0 0 0 GPRESSURE: 37150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37150 231.8644 727.6863 392.4428 48.4711 -1806.8205 -292.7523 0.0000 0.0000 947.1161 248.0079 311.4084 260.0231 260.0662 311.4084 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37200 TCL: Running for 0 steps PRESSURE: 37200 0 0 0 0 0 0 0 0 0 GPRESSURE: 37200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37200 245.6783 737.1263 390.9222 44.1480 -1806.8022 -296.5660 0.0000 0.0000 954.8299 269.3365 313.9446 281.5359 280.8853 313.9446 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37250 TCL: Running for 0 steps PRESSURE: 37250 0 0 0 0 0 0 0 0 0 GPRESSURE: 37250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37250 252.5831 737.2645 388.1548 45.6333 -1791.2673 -310.9966 0.0000 0.0000 957.7202 279.0920 314.8949 291.5797 289.8888 314.8949 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37300 TCL: Running for 0 steps PRESSURE: 37300 0 0 0 0 0 0 0 0 0 GPRESSURE: 37300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37300 267.0678 663.5911 387.5216 38.2920 -1764.2522 -300.5640 0.0000 0.0000 946.5770 238.2334 311.2311 250.4469 249.8898 311.2311 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37350 TCL: Running for 0 steps PRESSURE: 37350 0 0 0 0 0 0 0 0 0 GPRESSURE: 37350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37350 247.2213 735.2939 393.6496 42.4255 -1807.2538 -288.0266 0.0000 0.0000 946.6684 269.9783 311.2612 282.5468 280.6934 311.2612 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37400 TCL: Running for 0 steps PRESSURE: 37400 0 0 0 0 0 0 0 0 0 GPRESSURE: 37400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37400 252.8900 697.1680 383.0051 46.6605 -1784.9775 -277.0244 0.0000 0.0000 941.8645 259.5862 309.6817 271.7096 271.6412 309.6817 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37450 TCL: Running for 0 steps PRESSURE: 37450 0 0 0 0 0 0 0 0 0 GPRESSURE: 37450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37450 244.0114 711.9107 378.5042 46.9884 -1785.6483 -305.2171 0.0000 0.0000 947.0958 237.6450 311.4017 250.3382 248.1375 311.4017 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37500 TCL: Running for 0 steps PRESSURE: 37500 0 0 0 0 0 0 0 0 0 GPRESSURE: 37500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37500 244.7576 726.5855 399.0483 41.5018 -1851.5422 -281.5029 0.0000 0.0000 947.5451 226.3933 311.5494 237.8045 240.5489 311.5494 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37550 TCL: Running for 0 steps PRESSURE: 37550 0 0 0 0 0 0 0 0 0 GPRESSURE: 37550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37550 246.0267 750.3882 390.6313 44.9426 -1836.0820 -283.9730 0.0000 0.0000 947.2006 259.1345 311.4362 271.3758 270.8356 311.4362 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37600 TCL: Running for 0 steps PRESSURE: 37600 0 0 0 0 0 0 0 0 0 GPRESSURE: 37600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37600 241.8978 751.5431 378.9519 38.4210 -1822.6498 -298.3252 0.0000 0.0000 950.5060 240.3449 312.5230 252.3746 252.6614 312.5230 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37650 TCL: Running for 0 steps PRESSURE: 37650 0 0 0 0 0 0 0 0 0 GPRESSURE: 37650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37650 231.9682 729.9458 382.3258 40.3582 -1844.2822 -286.8095 0.0000 0.0000 953.7848 207.2912 313.6010 219.5765 218.8869 313.6010 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37700 TCL: Running for 0 steps PRESSURE: 37700 0 0 0 0 0 0 0 0 0 GPRESSURE: 37700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37700 219.9266 687.3340 391.9712 48.7197 -1776.8859 -271.6262 0.0000 0.0000 951.6552 251.0945 312.9008 263.3375 262.8499 312.9008 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37750 TCL: Running for 0 steps PRESSURE: 37750 0 0 0 0 0 0 0 0 0 GPRESSURE: 37750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37750 243.1144 729.1987 376.7015 38.2528 -1792.8804 -299.0275 0.0000 0.0000 956.4126 251.7720 314.4650 264.1398 263.2147 314.4650 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37800 TCL: Running for 0 steps PRESSURE: 37800 0 0 0 0 0 0 0 0 0 GPRESSURE: 37800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37800 256.6768 724.0030 387.7253 39.7548 -1830.3472 -293.1301 0.0000 0.0000 955.6084 240.2910 314.2006 252.8465 251.2753 314.2006 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37850 TCL: Running for 0 steps PRESSURE: 37850 0 0 0 0 0 0 0 0 0 GPRESSURE: 37850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37850 237.3287 728.4699 398.7482 45.3191 -1845.7093 -286.7924 0.0000 0.0000 947.0581 224.4222 311.3893 236.4612 236.9253 311.3893 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37900 TCL: Running for 0 steps PRESSURE: 37900 0 0 0 0 0 0 0 0 0 GPRESSURE: 37900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37900 232.7726 733.1843 384.9345 37.4482 -1832.1937 -284.1740 0.0000 0.0000 950.4162 222.3881 312.4934 234.7755 233.9039 312.4934 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 37950 TCL: Running for 0 steps PRESSURE: 37950 0 0 0 0 0 0 0 0 0 GPRESSURE: 37950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 37950 231.9366 726.4596 391.5765 48.3055 -1843.9700 -292.9636 0.0000 0.0000 954.6385 215.9832 313.8817 227.9710 228.6521 313.8817 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38000 TCL: Running for 0 steps PRESSURE: 38000 0 0 0 0 0 0 0 0 0 GPRESSURE: 38000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38000 236.8100 682.3716 378.7847 43.5411 -1827.7059 -295.0227 0.0000 0.0000 955.1977 173.9764 314.0656 185.4668 187.9710 314.0656 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38050 TCL: Running for 0 steps PRESSURE: 38050 0 0 0 0 0 0 0 0 0 GPRESSURE: 38050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38050 225.4794 699.6386 392.4338 51.1308 -1801.9477 -273.2736 0.0000 0.0000 946.6605 240.1219 311.2586 252.2354 252.2463 311.2586 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38100 TCL: Running for 0 steps PRESSURE: 38100 0 0 0 0 0 0 0 0 0 GPRESSURE: 38100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38100 251.0582 706.5750 390.2298 40.7825 -1802.6653 -284.6979 0.0000 0.0000 955.9142 257.1966 314.3012 269.3388 269.2415 314.3012 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38150 TCL: Running for 0 steps PRESSURE: 38150 0 0 0 0 0 0 0 0 0 GPRESSURE: 38150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38150 227.1620 696.4705 378.5364 43.2458 -1798.8456 -309.4548 0.0000 0.0000 952.2007 189.3150 313.0801 200.8612 203.0047 313.0801 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38200 TCL: Running for 0 steps PRESSURE: 38200 0 0 0 0 0 0 0 0 0 GPRESSURE: 38200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38200 243.6123 721.3139 394.7180 44.6493 -1818.4441 -305.8291 0.0000 0.0000 948.7890 228.8093 311.9584 240.9750 240.6615 311.9584 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38250 TCL: Running for 0 steps PRESSURE: 38250 0 0 0 0 0 0 0 0 0 GPRESSURE: 38250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38250 247.1010 732.7693 391.7128 38.7876 -1844.8862 -295.7520 0.0000 0.0000 955.5339 225.2665 314.1761 237.4691 237.0367 314.1761 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38300 TCL: Running for 0 steps PRESSURE: 38300 0 0 0 0 0 0 0 0 0 GPRESSURE: 38300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38300 234.2952 728.3660 389.0739 44.0286 -1833.5023 -276.3003 0.0000 0.0000 953.9354 239.8965 313.6505 252.2411 251.3033 313.6505 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38350 TCL: Running for 0 steps PRESSURE: 38350 0 0 0 0 0 0 0 0 0 GPRESSURE: 38350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38350 239.4898 751.7239 392.2025 38.3049 -1845.9398 -286.6308 0.0000 0.0000 958.1135 247.2640 315.0243 259.6173 258.7054 315.0243 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38400 TCL: Running for 0 steps PRESSURE: 38400 0 0 0 0 0 0 0 0 0 GPRESSURE: 38400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38400 236.8778 698.7330 395.1887 44.9278 -1846.4836 -291.0626 0.0000 0.0000 954.1520 192.3332 313.7218 204.3178 204.8457 313.7218 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38450 TCL: Running for 0 steps PRESSURE: 38450 0 0 0 0 0 0 0 0 0 GPRESSURE: 38450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38450 258.2573 723.2227 380.5369 35.6771 -1811.5600 -300.5949 0.0000 0.0000 951.3608 236.8999 312.8040 249.5306 247.6024 312.8040 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38500 TCL: Running for 0 steps PRESSURE: 38500 0 0 0 0 0 0 0 0 0 GPRESSURE: 38500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38500 244.2738 737.5286 376.2138 38.6487 -1816.5287 -297.8215 0.0000 0.0000 955.0440 237.3587 314.0150 249.8131 248.6670 314.0150 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38550 TCL: Running for 0 steps PRESSURE: 38550 0 0 0 0 0 0 0 0 0 GPRESSURE: 38550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38550 246.5646 707.1578 385.9737 43.0221 -1801.7308 -281.3701 0.0000 0.0000 951.6198 251.2370 312.8892 263.3978 263.4241 312.8892 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38600 TCL: Running for 0 steps PRESSURE: 38600 0 0 0 0 0 0 0 0 0 GPRESSURE: 38600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38600 247.6215 715.6156 399.1001 50.8962 -1841.9125 -290.3235 0.0000 0.0000 948.2607 229.2581 311.7847 241.4533 241.3489 311.7847 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38650 TCL: Running for 0 steps PRESSURE: 38650 0 0 0 0 0 0 0 0 0 GPRESSURE: 38650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38650 242.3423 732.4963 401.0799 56.6630 -1830.7651 -305.7351 0.0000 0.0000 944.9329 241.0142 310.6905 253.3941 252.6037 310.6905 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38700 TCL: Running for 0 steps PRESSURE: 38700 0 0 0 0 0 0 0 0 0 GPRESSURE: 38700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38700 236.0724 697.4269 400.1886 38.9367 -1801.0326 -289.6403 0.0000 0.0000 946.5788 228.5306 311.2317 240.2732 241.9221 311.2317 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38750 TCL: Running for 0 steps PRESSURE: 38750 0 0 0 0 0 0 0 0 0 GPRESSURE: 38750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38750 255.3830 730.5743 388.6921 43.4148 -1817.9928 -301.5269 0.0000 0.0000 945.8289 244.3734 310.9851 256.7214 255.9970 310.9851 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38800 TCL: Running for 0 steps PRESSURE: 38800 0 0 0 0 0 0 0 0 0 GPRESSURE: 38800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38800 248.8688 692.0584 394.5362 43.7751 -1821.6805 -311.0569 0.0000 0.0000 945.3893 191.8904 310.8406 203.4280 205.7878 310.8406 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38850 TCL: Running for 0 steps PRESSURE: 38850 0 0 0 0 0 0 0 0 0 GPRESSURE: 38850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38850 232.2253 735.2894 401.8850 39.8792 -1812.7131 -305.4019 0.0000 0.0000 946.5899 237.7538 311.2354 250.2383 248.8998 311.2354 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38900 TCL: Running for 0 steps PRESSURE: 38900 0 0 0 0 0 0 0 0 0 GPRESSURE: 38900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38900 247.4947 710.0891 398.1772 40.3469 -1866.5555 -276.8731 0.0000 0.0000 951.9300 204.6093 312.9912 216.4039 217.7363 312.9912 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 38950 TCL: Running for 0 steps PRESSURE: 38950 0 0 0 0 0 0 0 0 0 GPRESSURE: 38950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 38950 248.4886 710.7984 389.1102 35.7334 -1859.8907 -280.1293 0.0000 0.0000 953.1864 197.2971 313.4043 209.4916 209.2410 313.4043 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39000 TCL: Running for 0 steps PRESSURE: 39000 0 0 0 0 0 0 0 0 0 GPRESSURE: 39000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39000 269.5883 679.9263 393.8533 43.3862 -1851.5760 -284.0016 0.0000 0.0000 952.3086 203.4851 313.1156 215.7629 215.2155 313.1156 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39050 TCL: Running for 0 steps PRESSURE: 39050 0 0 0 0 0 0 0 0 0 GPRESSURE: 39050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39050 237.7618 688.2302 393.6026 36.1196 -1817.8219 -304.2461 0.0000 0.0000 950.1939 183.8400 312.4203 195.4753 197.3713 312.4203 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39100 TCL: Running for 0 steps PRESSURE: 39100 0 0 0 0 0 0 0 0 0 GPRESSURE: 39100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39100 241.7313 724.7585 398.3656 54.6388 -1817.1256 -304.1573 0.0000 0.0000 950.0967 248.3079 312.3884 260.9089 259.0650 312.3884 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39150 TCL: Running for 0 steps PRESSURE: 39150 0 0 0 0 0 0 0 0 0 GPRESSURE: 39150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39150 249.1637 695.7366 378.3847 40.3385 -1838.2688 -294.4946 0.0000 0.0000 942.6738 173.5339 309.9477 185.8505 185.1884 309.9477 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39200 TCL: Running for 0 steps PRESSURE: 39200 0 0 0 0 0 0 0 0 0 GPRESSURE: 39200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39200 229.3960 710.4162 398.4207 40.1953 -1849.1988 -274.5006 0.0000 0.0000 952.1565 206.8853 313.0656 218.9079 219.3899 313.0656 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39250 TCL: Running for 0 steps PRESSURE: 39250 0 0 0 0 0 0 0 0 0 GPRESSURE: 39250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39250 237.8239 692.1835 388.2784 37.8794 -1844.0080 -288.6586 0.0000 0.0000 944.3835 167.8821 310.5099 179.7605 180.7528 310.5099 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39300 TCL: Running for 0 steps PRESSURE: 39300 0 0 0 0 0 0 0 0 0 GPRESSURE: 39300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39300 249.6549 714.1389 401.6331 40.4658 -1825.4821 -301.5647 0.0000 0.0000 950.4074 229.2534 312.4905 241.3536 241.4522 312.4905 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39350 TCL: Running for 0 steps PRESSURE: 39350 0 0 0 0 0 0 0 0 0 GPRESSURE: 39350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39350 238.5284 700.5124 395.5501 40.3126 -1823.5916 -270.7366 0.0000 0.0000 946.6184 227.1935 311.2447 239.4883 238.8513 311.2447 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39400 TCL: Running for 0 steps PRESSURE: 39400 0 0 0 0 0 0 0 0 0 GPRESSURE: 39400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39400 262.0535 726.9379 389.3959 43.9783 -1830.8237 -295.7292 0.0000 0.0000 947.4037 243.2163 311.5029 255.2689 255.5800 311.5029 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39450 TCL: Running for 0 steps PRESSURE: 39450 0 0 0 0 0 0 0 0 0 GPRESSURE: 39450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39450 252.4041 714.4352 389.2259 35.5441 -1792.6352 -305.6034 0.0000 0.0000 951.7955 245.1662 312.9469 257.2789 257.3451 312.9469 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39500 TCL: Running for 0 steps PRESSURE: 39500 0 0 0 0 0 0 0 0 0 GPRESSURE: 39500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39500 238.6607 734.9915 400.2009 45.8911 -1821.0099 -306.0293 0.0000 0.0000 946.5228 239.2278 311.2133 251.1987 251.7923 311.2133 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39550 TCL: Running for 0 steps PRESSURE: 39550 0 0 0 0 0 0 0 0 0 GPRESSURE: 39550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39550 253.5219 698.8291 385.3899 43.8153 -1830.2605 -310.5808 0.0000 0.0000 946.7203 187.4350 311.2782 199.1124 200.7698 311.2782 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39600 TCL: Running for 0 steps PRESSURE: 39600 0 0 0 0 0 0 0 0 0 GPRESSURE: 39600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39600 236.5057 669.2759 406.4416 43.4658 -1812.7470 -288.2181 0.0000 0.0000 942.7880 197.5119 309.9853 209.2712 210.5178 309.9853 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39650 TCL: Running for 0 steps PRESSURE: 39650 0 0 0 0 0 0 0 0 0 GPRESSURE: 39650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39650 213.7762 699.8778 388.9467 40.5296 -1831.8460 -286.8916 0.0000 0.0000 946.2387 170.6313 311.1199 181.9893 184.6630 311.1199 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39700 TCL: Running for 0 steps PRESSURE: 39700 0 0 0 0 0 0 0 0 0 GPRESSURE: 39700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39700 236.5338 703.1592 389.9507 48.7647 -1840.0854 -266.3619 0.0000 0.0000 945.3668 217.3280 310.8332 229.7192 228.3510 310.8332 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39750 TCL: Running for 0 steps PRESSURE: 39750 0 0 0 0 0 0 0 0 0 GPRESSURE: 39750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39750 238.2032 691.4905 391.2995 47.5780 -1839.5160 -290.3678 0.0000 0.0000 947.6599 186.3473 311.5872 198.1682 199.0242 311.5872 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39800 TCL: Running for 0 steps PRESSURE: 39800 0 0 0 0 0 0 0 0 0 GPRESSURE: 39800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39800 227.4139 676.1699 377.7970 46.9750 -1821.7677 -288.1429 0.0000 0.0000 952.4958 170.9409 313.1772 182.2750 184.9033 313.1772 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39850 TCL: Running for 0 steps PRESSURE: 39850 0 0 0 0 0 0 0 0 0 GPRESSURE: 39850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39850 226.1795 683.0476 390.8037 48.2493 -1804.5396 -303.2763 0.0000 0.0000 944.6339 185.0980 310.5922 196.6477 198.3030 310.5922 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39900 TCL: Running for 0 steps PRESSURE: 39900 0 0 0 0 0 0 0 0 0 GPRESSURE: 39900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39900 229.7346 690.8706 385.1469 37.1449 -1784.7429 -305.6360 0.0000 0.0000 937.0470 189.5651 308.0977 201.1816 202.4829 308.0977 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 39950 TCL: Running for 0 steps PRESSURE: 39950 0 0 0 0 0 0 0 0 0 GPRESSURE: 39950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 39950 233.8763 719.4029 396.6152 50.8530 -1767.4558 -309.4642 0.0000 0.0000 944.6486 268.4761 310.5971 280.8043 279.3552 310.5971 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40000 TCL: Running for 0 steps PRESSURE: 40000 0 0 0 0 0 0 0 0 0 GPRESSURE: 40000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40000 237.1221 667.7710 375.6186 40.1768 -1849.7087 -285.8686 0.0000 0.0000 947.0643 132.1756 311.3913 142.6561 148.2266 311.3913 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40050 TCL: Running for 0 steps PRESSURE: 40050 0 0 0 0 0 0 0 0 0 GPRESSURE: 40050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40050 231.4689 707.9042 386.0819 45.3194 -1811.8377 -296.8996 0.0000 0.0000 943.5735 205.6107 310.2436 217.3121 217.9559 310.2436 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40100 TCL: Running for 0 steps PRESSURE: 40100 0 0 0 0 0 0 0 0 0 GPRESSURE: 40100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40100 232.8803 723.2116 377.2277 42.7506 -1807.2666 -285.2206 0.0000 0.0000 944.0649 227.6478 310.4051 239.4704 239.6196 310.4051 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40150 TCL: Running for 0 steps PRESSURE: 40150 0 0 0 0 0 0 0 0 0 GPRESSURE: 40150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40150 266.0476 714.4438 374.7513 44.2453 -1842.1136 -293.5315 0.0000 0.0000 941.7820 205.6249 309.6545 217.7917 216.6408 309.6545 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40200 TCL: Running for 0 steps PRESSURE: 40200 0 0 0 0 0 0 0 0 0 GPRESSURE: 40200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40200 240.3561 682.4972 383.4846 41.4810 -1809.6213 -273.6771 0.0000 0.0000 947.6427 212.1632 311.5815 224.3726 223.1339 311.5815 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40250 TCL: Running for 0 steps PRESSURE: 40250 0 0 0 0 0 0 0 0 0 GPRESSURE: 40250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40250 237.3446 725.6356 372.8703 28.2811 -1810.7616 -267.9850 0.0000 0.0000 940.1657 225.5508 309.1231 238.2184 235.3389 309.1231 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40300 TCL: Running for 0 steps PRESSURE: 40300 0 0 0 0 0 0 0 0 0 GPRESSURE: 40300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40300 231.5685 747.8129 383.1185 41.3271 -1826.6915 -291.9228 0.0000 0.0000 941.7592 226.9720 309.6470 239.3974 237.6059 309.6470 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40350 TCL: Running for 0 steps PRESSURE: 40350 0 0 0 0 0 0 0 0 0 GPRESSURE: 40350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40350 240.1852 750.0208 397.5457 40.7255 -1823.6671 -292.3905 0.0000 0.0000 944.1460 256.5657 310.4318 269.2641 266.5611 310.4318 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40400 TCL: Running for 0 steps PRESSURE: 40400 0 0 0 0 0 0 0 0 0 GPRESSURE: 40400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40400 251.7502 729.3696 391.7855 48.4534 -1852.4020 -296.6580 0.0000 0.0000 942.6609 214.9595 309.9435 226.7736 227.5557 309.9435 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40450 TCL: Running for 0 steps PRESSURE: 40450 0 0 0 0 0 0 0 0 0 GPRESSURE: 40450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40450 244.0317 728.7036 386.9608 39.0431 -1812.3575 -306.3617 0.0000 0.0000 944.4233 224.4433 310.5230 236.4266 236.5251 310.5230 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40500 TCL: Running for 0 steps PRESSURE: 40500 0 0 0 0 0 0 0 0 0 GPRESSURE: 40500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40500 252.8566 720.6770 375.5191 40.1681 -1795.8143 -297.3994 0.0000 0.0000 947.1609 243.1680 311.4231 255.5752 254.0779 311.4231 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40550 TCL: Running for 0 steps PRESSURE: 40550 0 0 0 0 0 0 0 0 0 GPRESSURE: 40550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40550 242.5244 729.5153 386.3231 40.8032 -1800.8728 -302.4209 0.0000 0.0000 949.8347 245.7069 312.3022 258.2731 256.2735 312.3022 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40600 TCL: Running for 0 steps PRESSURE: 40600 0 0 0 0 0 0 0 0 0 GPRESSURE: 40600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40600 243.9943 686.4249 377.4425 47.7820 -1819.9531 -294.4760 0.0000 0.0000 958.9024 200.1170 315.2837 211.7295 213.4311 315.2837 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40650 TCL: Running for 0 steps PRESSURE: 40650 0 0 0 0 0 0 0 0 0 GPRESSURE: 40650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40650 235.9699 724.2973 402.1039 39.2144 -1810.5147 -288.7138 0.0000 0.0000 949.5323 251.8894 312.2028 264.0861 263.4906 312.2028 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40700 TCL: Running for 0 steps PRESSURE: 40700 0 0 0 0 0 0 0 0 0 GPRESSURE: 40700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40700 237.9248 715.4394 401.3575 46.1236 -1831.4452 -272.0691 0.0000 0.0000 948.4980 245.8291 311.8627 258.3790 256.4965 311.8627 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40750 TCL: Running for 0 steps PRESSURE: 40750 0 0 0 0 0 0 0 0 0 GPRESSURE: 40750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40750 241.6447 735.9814 376.7213 52.2860 -1798.9015 -280.4719 0.0000 0.0000 949.5447 276.8048 312.2069 289.1399 288.1802 312.2069 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40800 TCL: Running for 0 steps PRESSURE: 40800 0 0 0 0 0 0 0 0 0 GPRESSURE: 40800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40800 255.0864 699.9922 381.9767 44.0828 -1772.7393 -267.5917 0.0000 0.0000 957.3527 298.1598 314.7741 310.4584 309.6956 314.7741 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40850 TCL: Running for 0 steps PRESSURE: 40850 0 0 0 0 0 0 0 0 0 GPRESSURE: 40850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40850 251.6064 728.9937 383.9656 49.2241 -1762.7999 -299.4877 0.0000 0.0000 949.2060 300.7082 312.0955 313.2304 311.6769 312.0955 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40900 TCL: Running for 0 steps PRESSURE: 40900 0 0 0 0 0 0 0 0 0 GPRESSURE: 40900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40900 244.7224 724.7046 390.9589 55.0547 -1834.1829 -258.0978 0.0000 0.0000 951.1007 274.2606 312.7185 286.4943 286.1197 312.7185 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 40950 TCL: Running for 0 steps PRESSURE: 40950 0 0 0 0 0 0 0 0 0 GPRESSURE: 40950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 40950 252.9237 719.1354 382.3806 51.6190 -1823.0423 -287.7467 0.0000 0.0000 950.7260 245.9957 312.5953 258.3448 257.5607 312.5953 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41000 TCL: Running for 0 steps PRESSURE: 41000 0 0 0 0 0 0 0 0 0 GPRESSURE: 41000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41000 234.2342 747.0616 387.7098 38.9624 -1823.5425 -286.0437 0.0000 0.0000 954.5250 252.9068 313.8444 265.0583 265.0646 313.8444 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41050 TCL: Running for 0 steps PRESSURE: 41050 0 0 0 0 0 0 0 0 0 GPRESSURE: 41050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41050 231.2467 721.0664 385.7899 44.1130 -1798.3404 -293.9185 0.0000 0.0000 951.6504 241.6075 312.8992 253.8836 253.4222 312.8992 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41100 TCL: Running for 0 steps PRESSURE: 41100 0 0 0 0 0 0 0 0 0 GPRESSURE: 41100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41100 251.6821 706.3988 376.9755 42.1241 -1819.4974 -303.0832 0.0000 0.0000 949.3554 203.9552 312.1446 215.8048 216.9716 312.1446 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41150 TCL: Running for 0 steps PRESSURE: 41150 0 0 0 0 0 0 0 0 0 GPRESSURE: 41150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41150 231.5001 750.4633 385.8782 39.6676 -1818.6065 -283.2010 0.0000 0.0000 944.8068 250.5086 310.6491 262.6499 262.6499 310.6491 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41200 TCL: Running for 0 steps PRESSURE: 41200 0 0 0 0 0 0 0 0 0 GPRESSURE: 41200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41200 247.3510 724.8439 386.7985 34.5848 -1785.4130 -302.8846 0.0000 0.0000 955.6965 260.9771 314.2296 272.7847 274.0361 314.2296 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41250 TCL: Running for 0 steps PRESSURE: 41250 0 0 0 0 0 0 0 0 0 GPRESSURE: 41250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41250 229.2751 737.2081 381.2985 45.8149 -1795.1381 -280.5225 0.0000 0.0000 952.5948 270.5309 313.2097 282.6060 282.7759 313.2097 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41300 TCL: Running for 0 steps PRESSURE: 41300 0 0 0 0 0 0 0 0 0 GPRESSURE: 41300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41300 225.7562 717.4935 391.2040 33.9265 -1762.8951 -283.6035 0.0000 0.0000 953.2863 275.1679 313.4371 286.8943 288.3612 313.4371 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41350 TCL: Running for 0 steps PRESSURE: 41350 0 0 0 0 0 0 0 0 0 GPRESSURE: 41350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41350 233.1288 700.7160 397.8672 44.4093 -1761.2659 -287.2142 0.0000 0.0000 955.5102 283.1514 314.1683 294.9015 296.1877 314.1683 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41400 TCL: Running for 0 steps PRESSURE: 41400 0 0 0 0 0 0 0 0 0 GPRESSURE: 41400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41400 242.0807 701.7708 383.9880 40.0426 -1777.2880 -283.1284 0.0000 0.0000 947.4867 254.9524 311.5302 267.4795 265.7715 311.5302 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41450 TCL: Running for 0 steps PRESSURE: 41450 0 0 0 0 0 0 0 0 0 GPRESSURE: 41450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41450 224.7421 697.4664 384.5906 44.4120 -1783.9563 -290.0628 0.0000 0.0000 954.1618 231.3539 313.7250 242.9561 244.8235 313.7250 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41500 TCL: Running for 0 steps PRESSURE: 41500 0 0 0 0 0 0 0 0 0 GPRESSURE: 41500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41500 247.9237 704.8334 392.1497 42.9676 -1828.0627 -281.1109 0.0000 0.0000 947.1807 225.8815 311.4296 237.5248 239.1212 311.4296 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41550 TCL: Running for 0 steps PRESSURE: 41550 0 0 0 0 0 0 0 0 0 GPRESSURE: 41550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41550 237.8704 681.1606 398.3657 36.9215 -1811.4410 -271.4296 0.0000 0.0000 957.1852 228.6327 314.7191 240.0585 242.3710 314.7191 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41600 TCL: Running for 0 steps PRESSURE: 41600 0 0 0 0 0 0 0 0 0 GPRESSURE: 41600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41600 242.2515 674.6929 388.9833 38.0416 -1802.1430 -309.2098 0.0000 0.0000 954.8796 187.4961 313.9610 198.8574 201.2670 313.9610 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41650 TCL: Running for 0 steps PRESSURE: 41650 0 0 0 0 0 0 0 0 0 GPRESSURE: 41650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41650 235.0945 683.7662 375.8941 42.5321 -1819.5094 -276.0284 0.0000 0.0000 954.7000 196.4491 313.9019 207.9325 209.7336 313.9019 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41700 TCL: Running for 0 steps PRESSURE: 41700 0 0 0 0 0 0 0 0 0 GPRESSURE: 41700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41700 240.9881 670.9637 402.9961 37.4864 -1786.2613 -304.0057 0.0000 0.0000 952.8789 215.0461 313.3032 226.3504 228.7107 313.3032 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41750 TCL: Running for 0 steps PRESSURE: 41750 0 0 0 0 0 0 0 0 0 GPRESSURE: 41750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41750 218.1400 746.4767 360.3652 37.3126 -1776.3369 -293.3110 0.0000 0.0000 956.2887 248.9352 314.4243 260.4922 261.7573 314.4243 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41800 TCL: Running for 0 steps PRESSURE: 41800 0 0 0 0 0 0 0 0 0 GPRESSURE: 41800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41800 238.1328 692.3065 379.5110 46.0882 -1809.8563 -301.2939 0.0000 0.0000 950.7183 195.6066 312.5928 207.2931 207.9936 312.5928 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41850 TCL: Running for 0 steps PRESSURE: 41850 0 0 0 0 0 0 0 0 0 GPRESSURE: 41850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41850 225.1005 714.5850 384.4735 49.0209 -1810.3004 -286.4387 0.0000 0.0000 957.1251 233.5659 314.6993 245.4354 245.4057 314.6993 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41900 TCL: Running for 0 steps PRESSURE: 41900 0 0 0 0 0 0 0 0 0 GPRESSURE: 41900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41900 230.3406 715.2825 380.2878 41.6782 -1823.9335 -272.8366 0.0000 0.0000 956.1922 227.0111 314.3925 238.5639 239.7238 314.3925 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 41950 TCL: Running for 0 steps PRESSURE: 41950 0 0 0 0 0 0 0 0 0 GPRESSURE: 41950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 41950 242.6649 689.2660 385.7081 47.4257 -1798.7195 -293.6247 0.0000 0.0000 957.4725 230.1929 314.8135 241.8081 242.6615 314.8135 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42000 TCL: Running for 0 steps PRESSURE: 42000 0 0 0 0 0 0 0 0 0 GPRESSURE: 42000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42000 249.9372 710.7206 374.7789 34.1774 -1797.3470 -309.1127 0.0000 0.0000 953.6226 216.7770 313.5477 228.9305 227.7120 313.5477 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42050 TCL: Running for 0 steps PRESSURE: 42050 0 0 0 0 0 0 0 0 0 GPRESSURE: 42050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42050 238.7596 686.5878 379.3792 42.3012 -1800.0760 -283.4253 0.0000 0.0000 955.8302 219.3566 314.2735 231.0223 231.7090 314.2735 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42100 TCL: Running for 0 steps PRESSURE: 42100 0 0 0 0 0 0 0 0 0 GPRESSURE: 42100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42100 246.1720 692.8442 384.0216 40.9204 -1811.5726 -289.1335 0.0000 0.0000 959.0365 222.2887 315.3277 234.3753 233.4407 315.3277 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42150 TCL: Running for 0 steps PRESSURE: 42150 0 0 0 0 0 0 0 0 0 GPRESSURE: 42150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42150 218.8013 741.3584 408.7979 46.0128 -1765.8106 -295.8388 0.0000 0.0000 958.8989 312.2200 315.2825 324.7128 322.3133 315.2825 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42200 TCL: Running for 0 steps PRESSURE: 42200 0 0 0 0 0 0 0 0 0 GPRESSURE: 42200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42200 222.0809 740.7483 381.0796 47.5451 -1801.1607 -289.7287 0.0000 0.0000 956.6537 257.2181 314.5443 269.6093 267.7409 314.5443 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42250 TCL: Running for 0 steps PRESSURE: 42250 0 0 0 0 0 0 0 0 0 GPRESSURE: 42250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42250 246.4208 743.9925 388.4255 41.1284 -1787.2346 -300.2587 0.0000 0.0000 954.6959 287.1698 313.9006 299.7954 297.1648 313.9006 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42300 TCL: Running for 0 steps PRESSURE: 42300 0 0 0 0 0 0 0 0 0 GPRESSURE: 42300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42300 243.5795 736.4622 383.6538 41.5677 -1787.1097 -301.8578 0.0000 0.0000 954.0219 270.3176 313.6790 282.5868 281.4571 313.6790 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42350 TCL: Running for 0 steps PRESSURE: 42350 0 0 0 0 0 0 0 0 0 GPRESSURE: 42350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42350 241.9791 674.4992 382.7372 42.2774 -1821.5139 -280.0932 0.0000 0.0000 956.4472 196.3330 314.4764 207.6738 210.0961 314.4764 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42400 TCL: Running for 0 steps PRESSURE: 42400 0 0 0 0 0 0 0 0 0 GPRESSURE: 42400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42400 244.4255 753.9196 395.1300 48.0025 -1825.4972 -298.2760 0.0000 0.0000 956.8389 274.5434 314.6052 287.4581 283.8269 314.6052 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42450 TCL: Running for 0 steps PRESSURE: 42450 0 0 0 0 0 0 0 0 0 GPRESSURE: 42450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42450 243.3529 711.4739 391.2634 42.5264 -1799.3723 -268.4896 0.0000 0.0000 962.7267 283.4814 316.5411 295.9853 294.1217 316.5411 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42500 TCL: Running for 0 steps PRESSURE: 42500 0 0 0 0 0 0 0 0 0 GPRESSURE: 42500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42500 220.5466 705.9957 393.7833 44.5805 -1779.9071 -268.4877 0.0000 0.0000 957.3521 273.8634 314.7739 285.9646 285.7276 314.7739 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42550 TCL: Running for 0 steps PRESSURE: 42550 0 0 0 0 0 0 0 0 0 GPRESSURE: 42550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42550 250.8472 750.7441 384.4654 40.1393 -1779.5856 -292.9862 0.0000 0.0000 962.6499 316.2740 316.5158 328.9077 326.6885 316.5158 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42600 TCL: Running for 0 steps PRESSURE: 42600 0 0 0 0 0 0 0 0 0 GPRESSURE: 42600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42600 222.3144 742.8822 393.2968 41.8784 -1816.1545 -272.1261 0.0000 0.0000 954.7560 266.8471 313.9203 278.9611 278.8296 313.9203 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42650 TCL: Running for 0 steps PRESSURE: 42650 0 0 0 0 0 0 0 0 0 GPRESSURE: 42650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42650 246.3025 740.0034 387.9101 43.8683 -1829.0581 -296.4781 0.0000 0.0000 960.5628 253.1109 315.8296 265.4882 264.3773 315.8296 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42700 TCL: Running for 0 steps PRESSURE: 42700 0 0 0 0 0 0 0 0 0 GPRESSURE: 42700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42700 248.2963 728.7959 383.7255 42.1193 -1805.7574 -295.5892 0.0000 0.0000 952.0815 253.6719 313.0410 265.9829 265.1901 313.0410 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42750 TCL: Running for 0 steps PRESSURE: 42750 0 0 0 0 0 0 0 0 0 GPRESSURE: 42750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42750 244.6413 716.8815 383.5651 47.2545 -1803.2685 -323.2759 0.0000 0.0000 958.7003 224.4983 315.2172 236.3706 237.2725 315.2172 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42800 TCL: Running for 0 steps PRESSURE: 42800 0 0 0 0 0 0 0 0 0 GPRESSURE: 42800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42800 212.7465 718.5224 377.1995 39.4353 -1816.9518 -318.4542 0.0000 0.0000 951.5684 164.0662 312.8723 175.5584 177.8294 312.8723 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42850 TCL: Running for 0 steps PRESSURE: 42850 0 0 0 0 0 0 0 0 0 GPRESSURE: 42850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42850 233.8578 720.9985 367.1083 48.7517 -1787.4370 -297.9879 0.0000 0.0000 950.0031 235.2946 312.3576 247.5451 246.8306 312.3576 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42900 TCL: Running for 0 steps PRESSURE: 42900 0 0 0 0 0 0 0 0 0 GPRESSURE: 42900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42900 235.2482 740.2678 378.3808 48.5757 -1809.9613 -291.8722 0.0000 0.0000 955.5728 256.2119 314.1889 268.3914 267.9876 314.1889 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 42950 TCL: Running for 0 steps PRESSURE: 42950 0 0 0 0 0 0 0 0 0 GPRESSURE: 42950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 42950 265.4361 717.8609 376.6775 36.3388 -1785.0405 -300.8912 0.0000 0.0000 955.4714 265.8529 314.1555 278.2513 277.0522 314.1555 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43000 TCL: Running for 0 steps PRESSURE: 43000 0 0 0 0 0 0 0 0 0 GPRESSURE: 43000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43000 243.3914 717.2967 376.2339 45.7474 -1766.3726 -295.3423 0.0000 0.0000 950.4415 271.3961 312.5018 283.9154 282.3375 312.5018 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43050 TCL: Running for 0 steps PRESSURE: 43050 0 0 0 0 0 0 0 0 0 GPRESSURE: 43050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43050 241.8193 736.9789 379.5750 49.5281 -1802.2419 -294.5766 0.0000 0.0000 950.9919 262.0747 312.6827 274.7160 272.7794 312.6827 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43100 TCL: Running for 0 steps PRESSURE: 43100 0 0 0 0 0 0 0 0 0 GPRESSURE: 43100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43100 228.8535 713.7474 394.3120 39.2801 -1778.0371 -283.3780 0.0000 0.0000 957.7928 272.5708 314.9188 284.5541 285.2059 314.9188 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43150 TCL: Running for 0 steps PRESSURE: 43150 0 0 0 0 0 0 0 0 0 GPRESSURE: 43150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43150 249.9825 715.3351 376.1086 39.7044 -1789.6057 -297.9258 0.0000 0.0000 959.5886 253.1877 315.5093 265.0853 266.0178 315.5093 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43200 TCL: Running for 0 steps PRESSURE: 43200 0 0 0 0 0 0 0 0 0 GPRESSURE: 43200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43200 245.5368 704.6918 375.4113 40.0508 -1767.8029 -307.7141 0.0000 0.0000 952.2657 242.4394 313.1015 254.6016 254.4838 313.1015 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43250 TCL: Running for 0 steps PRESSURE: 43250 0 0 0 0 0 0 0 0 0 GPRESSURE: 43250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43250 227.3558 677.6877 391.0600 41.6618 -1793.9449 -274.7261 0.0000 0.0000 950.8745 219.9688 312.6441 232.0988 232.1090 312.6441 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43300 TCL: Running for 0 steps PRESSURE: 43300 0 0 0 0 0 0 0 0 0 GPRESSURE: 43300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43300 230.7826 717.2583 384.2532 39.3532 -1808.8388 -271.3672 0.0000 0.0000 957.6990 249.1403 314.8880 261.2597 261.3089 314.8880 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43350 TCL: Running for 0 steps PRESSURE: 43350 0 0 0 0 0 0 0 0 0 GPRESSURE: 43350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43350 231.1230 709.7782 394.4574 34.8114 -1771.6768 -294.9052 0.0000 0.0000 956.4842 260.0720 314.4885 271.8473 273.1841 314.4885 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43400 TCL: Running for 0 steps PRESSURE: 43400 0 0 0 0 0 0 0 0 0 GPRESSURE: 43400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43400 236.3910 677.5156 393.8403 35.5723 -1802.4731 -276.6003 0.0000 0.0000 957.5922 221.8379 314.8529 233.6790 234.6852 314.8529 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43450 TCL: Running for 0 steps PRESSURE: 43450 0 0 0 0 0 0 0 0 0 GPRESSURE: 43450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43450 226.0818 702.3820 395.5161 42.0002 -1794.3610 -292.1057 0.0000 0.0000 956.7902 236.3036 314.5892 248.0702 249.2928 314.5892 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43500 TCL: Running for 0 steps PRESSURE: 43500 0 0 0 0 0 0 0 0 0 GPRESSURE: 43500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43500 245.3667 710.2234 390.5054 40.8321 -1805.9351 -287.7955 0.0000 0.0000 944.7866 237.9835 310.6424 249.8920 250.5064 310.6424 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43550 TCL: Running for 0 steps PRESSURE: 43550 0 0 0 0 0 0 0 0 0 GPRESSURE: 43550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43550 237.8635 718.8473 374.8030 39.5247 -1777.2098 -292.9967 0.0000 0.0000 946.5758 247.4078 311.2307 259.3781 259.7222 311.2307 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43600 TCL: Running for 0 steps PRESSURE: 43600 0 0 0 0 0 0 0 0 0 GPRESSURE: 43600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43600 217.9132 732.3517 390.9644 43.9981 -1768.7644 -301.3883 0.0000 0.0000 952.4221 267.4967 313.1529 279.4498 279.8370 313.1529 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43650 TCL: Running for 0 steps PRESSURE: 43650 0 0 0 0 0 0 0 0 0 GPRESSURE: 43650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43650 207.8561 691.2627 408.9547 43.1837 -1790.8638 -268.5152 0.0000 0.0000 957.3886 249.2668 314.7859 260.8302 262.6544 314.7859 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43700 TCL: Running for 0 steps PRESSURE: 43700 0 0 0 0 0 0 0 0 0 GPRESSURE: 43700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43700 262.4941 723.3317 389.7519 35.5609 -1825.2155 -275.6484 0.0000 0.0000 960.7919 271.0666 315.9049 283.3072 282.4781 315.9049 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43750 TCL: Running for 0 steps PRESSURE: 43750 0 0 0 0 0 0 0 0 0 GPRESSURE: 43750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43750 232.9591 717.3303 400.4265 47.0677 -1832.8977 -270.4008 0.0000 0.0000 952.8430 247.3281 313.2914 259.3861 259.2934 313.2914 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43800 TCL: Running for 0 steps PRESSURE: 43800 0 0 0 0 0 0 0 0 0 GPRESSURE: 43800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43800 247.3284 727.5799 396.6263 38.6657 -1822.2828 -300.0426 0.0000 0.0000 956.2171 244.0921 314.4008 256.2602 255.7607 314.4008 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43850 TCL: Running for 0 steps PRESSURE: 43850 0 0 0 0 0 0 0 0 0 GPRESSURE: 43850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43850 218.8245 696.0847 404.2193 42.1661 -1831.9507 -269.9286 0.0000 0.0000 953.3599 212.7752 313.4613 224.6125 225.3844 313.4613 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43900 TCL: Running for 0 steps PRESSURE: 43900 0 0 0 0 0 0 0 0 0 GPRESSURE: 43900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43900 229.9853 706.9235 388.0890 37.4935 -1819.2968 -280.9245 0.0000 0.0000 951.3399 213.6099 312.7971 225.5139 225.9874 312.7971 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 43950 TCL: Running for 0 steps PRESSURE: 43950 0 0 0 0 0 0 0 0 0 GPRESSURE: 43950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 43950 219.8618 719.0263 397.1319 46.1927 -1842.2104 -283.4567 0.0000 0.0000 950.9023 207.4478 312.6533 219.2798 219.9938 312.6533 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44000 TCL: Running for 0 steps PRESSURE: 44000 0 0 0 0 0 0 0 0 0 GPRESSURE: 44000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44000 232.1918 710.9482 393.4294 41.1833 -1809.2417 -311.8506 0.0000 0.0000 953.2422 209.9026 313.4226 221.4627 223.1517 313.4226 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44050 TCL: Running for 0 steps PRESSURE: 44050 0 0 0 0 0 0 0 0 0 GPRESSURE: 44050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44050 225.6659 730.7486 399.0871 40.4223 -1808.2213 -317.2414 0.0000 0.0000 947.2088 217.6699 311.4389 229.0544 231.2962 311.4389 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44100 TCL: Running for 0 steps PRESSURE: 44100 0 0 0 0 0 0 0 0 0 GPRESSURE: 44100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44100 251.2582 696.4453 387.2639 38.3159 -1821.2936 -291.9337 0.0000 0.0000 952.1451 212.2010 313.0619 223.9339 224.7292 313.0619 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44150 TCL: Running for 0 steps PRESSURE: 44150 0 0 0 0 0 0 0 0 0 GPRESSURE: 44150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44150 243.0629 722.1194 380.8153 33.2540 -1780.1196 -293.8151 0.0000 0.0000 954.1120 259.4288 313.7086 271.3576 271.3686 313.7086 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44200 TCL: Running for 0 steps PRESSURE: 44200 0 0 0 0 0 0 0 0 0 GPRESSURE: 44200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44200 234.3013 748.7932 384.3930 41.8186 -1772.6203 -307.7293 0.0000 0.0000 960.5534 289.5099 315.8265 301.8901 300.2077 315.8265 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44250 TCL: Running for 0 steps PRESSURE: 44250 0 0 0 0 0 0 0 0 0 GPRESSURE: 44250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44250 245.1911 678.2889 386.8273 45.3926 -1800.1119 -282.4342 0.0000 0.0000 951.2676 224.4214 312.7733 235.7033 238.2444 312.7733 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44300 TCL: Running for 0 steps PRESSURE: 44300 0 0 0 0 0 0 0 0 0 GPRESSURE: 44300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44300 230.8076 735.3005 395.0219 40.1812 -1806.7651 -299.8599 0.0000 0.0000 954.6419 249.3282 313.8828 261.2878 261.1288 313.8828 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44350 TCL: Running for 0 steps PRESSURE: 44350 0 0 0 0 0 0 0 0 0 GPRESSURE: 44350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44350 239.5449 696.9336 392.6917 41.6862 -1800.3152 -300.6624 0.0000 0.0000 961.1199 230.9987 316.0128 242.8718 243.0472 316.0128 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44400 TCL: Running for 0 steps PRESSURE: 44400 0 0 0 0 0 0 0 0 0 GPRESSURE: 44400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44400 234.5319 697.0526 385.8576 45.1780 -1780.1180 -307.2595 0.0000 0.0000 953.5692 228.8117 313.5301 240.5552 241.2054 313.5301 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44450 TCL: Running for 0 steps PRESSURE: 44450 0 0 0 0 0 0 0 0 0 GPRESSURE: 44450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44450 239.5596 695.7811 390.3377 35.9047 -1824.4601 -287.0805 0.0000 0.0000 960.9993 211.0419 315.9731 222.3109 224.6999 315.9731 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44500 TCL: Running for 0 steps PRESSURE: 44500 0 0 0 0 0 0 0 0 0 GPRESSURE: 44500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44500 226.2807 717.4627 371.5944 49.5360 -1817.8975 -281.3704 0.0000 0.0000 963.5017 229.1077 316.7959 240.2686 242.9137 316.7959 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44550 TCL: Running for 0 steps PRESSURE: 44550 0 0 0 0 0 0 0 0 0 GPRESSURE: 44550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44550 239.4474 720.8952 393.2385 34.1623 -1801.0765 -308.8402 0.0000 0.0000 958.0018 235.8287 314.9876 247.9214 246.9069 314.9876 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44600 TCL: Running for 0 steps PRESSURE: 44600 0 0 0 0 0 0 0 0 0 GPRESSURE: 44600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44600 220.5123 703.0256 396.4488 40.3678 -1766.2234 -301.8327 0.0000 0.0000 955.9668 248.2652 314.3184 260.0796 260.1726 314.3184 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44650 TCL: Running for 0 steps PRESSURE: 44650 0 0 0 0 0 0 0 0 0 GPRESSURE: 44650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44650 229.1972 716.5563 382.0018 38.5964 -1776.6643 -309.1770 0.0000 0.0000 953.5072 234.0176 313.5097 245.5839 246.6012 313.5097 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44700 TCL: Running for 0 steps PRESSURE: 44700 0 0 0 0 0 0 0 0 0 GPRESSURE: 44700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44700 234.4278 725.8992 389.4412 38.8528 -1807.0644 -296.9822 0.0000 0.0000 955.3606 239.9350 314.1191 251.6731 251.9826 314.1191 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44750 TCL: Running for 0 steps PRESSURE: 44750 0 0 0 0 0 0 0 0 0 GPRESSURE: 44750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44750 223.0901 732.7799 391.6712 40.6881 -1795.4860 -297.7150 0.0000 0.0000 957.8752 252.9033 314.9459 265.1136 263.6331 314.9459 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44800 TCL: Running for 0 steps PRESSURE: 44800 0 0 0 0 0 0 0 0 0 GPRESSURE: 44800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44800 245.8210 706.9156 386.1623 46.7510 -1843.7246 -289.1245 0.0000 0.0000 952.7462 205.5469 313.2595 217.4477 217.2201 313.2595 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44850 TCL: Running for 0 steps PRESSURE: 44850 0 0 0 0 0 0 0 0 0 GPRESSURE: 44850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44850 226.1836 705.0735 380.6937 38.1651 -1819.7068 -291.5381 0.0000 0.0000 957.8978 196.7689 314.9533 208.2006 209.7466 314.9533 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44900 TCL: Running for 0 steps PRESSURE: 44900 0 0 0 0 0 0 0 0 0 GPRESSURE: 44900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44900 231.8063 767.7954 389.9804 37.7868 -1867.4054 -273.7924 0.0000 0.0000 962.3566 248.5278 316.4194 260.3507 260.3329 316.4194 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 44950 TCL: Running for 0 steps PRESSURE: 44950 0 0 0 0 0 0 0 0 0 GPRESSURE: 44950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 44950 232.5347 725.3490 397.8015 45.5904 -1804.7557 -297.5086 0.0000 0.0000 952.8093 251.8206 313.2803 264.1374 262.2686 313.2803 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45000 TCL: Running for 0 steps PRESSURE: 45000 0 0 0 0 0 0 0 0 0 GPRESSURE: 45000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45000 226.6617 718.7817 382.9155 44.2359 -1836.1690 -270.7414 0.0000 0.0000 954.8562 220.5405 313.9533 232.8199 231.2084 313.9533 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45050 TCL: Running for 0 steps PRESSURE: 45050 0 0 0 0 0 0 0 0 0 GPRESSURE: 45050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45050 250.1036 730.4166 395.8548 41.7256 -1808.7963 -299.6103 0.0000 0.0000 956.8315 266.5255 314.6028 279.2667 276.0239 314.6028 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45100 TCL: Running for 0 steps PRESSURE: 45100 0 0 0 0 0 0 0 0 0 GPRESSURE: 45100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45100 261.5480 736.6918 381.7932 43.1525 -1829.1861 -312.5072 0.0000 0.0000 954.5605 236.0528 313.8561 248.2282 247.3097 313.8561 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45150 TCL: Running for 0 steps PRESSURE: 45150 0 0 0 0 0 0 0 0 0 GPRESSURE: 45150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45150 244.0802 709.8254 390.3507 47.0076 -1820.4142 -294.9122 0.0000 0.0000 960.1844 236.1218 315.7052 248.2201 247.6483 315.7052 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45200 TCL: Running for 0 steps PRESSURE: 45200 0 0 0 0 0 0 0 0 0 GPRESSURE: 45200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45200 244.9656 676.3365 387.0254 31.1893 -1782.8933 -299.6618 0.0000 0.0000 954.6749 211.6366 313.8937 223.5661 223.6630 313.8937 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45250 TCL: Running for 0 steps PRESSURE: 45250 0 0 0 0 0 0 0 0 0 GPRESSURE: 45250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45250 226.3820 731.9731 375.5359 43.2156 -1821.0790 -309.8766 0.0000 0.0000 962.3638 208.5147 316.4217 219.8945 222.0470 316.4217 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45300 TCL: Running for 0 steps PRESSURE: 45300 0 0 0 0 0 0 0 0 0 GPRESSURE: 45300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45300 235.0926 739.3601 385.3963 40.5469 -1786.6453 -299.7164 0.0000 0.0000 963.9890 278.0231 316.9561 290.5960 288.1396 316.9561 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45350 TCL: Running for 0 steps PRESSURE: 45350 0 0 0 0 0 0 0 0 0 GPRESSURE: 45350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45350 248.8343 712.4928 390.1289 46.6454 -1782.6706 -293.6121 0.0000 0.0000 961.0145 282.8331 315.9781 295.2824 293.4431 315.9781 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45400 TCL: Running for 0 steps PRESSURE: 45400 0 0 0 0 0 0 0 0 0 GPRESSURE: 45400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45400 223.0635 704.8419 391.9446 47.4396 -1787.1584 -298.8192 0.0000 0.0000 960.6694 241.9814 315.8646 253.9305 254.0816 315.8646 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45450 TCL: Running for 0 steps PRESSURE: 45450 0 0 0 0 0 0 0 0 0 GPRESSURE: 45450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45450 258.9683 704.6128 386.3827 40.6974 -1779.4439 -303.0822 0.0000 0.0000 962.0839 270.2190 316.3297 282.8306 280.4882 316.3297 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45500 TCL: Running for 0 steps PRESSURE: 45500 0 0 0 0 0 0 0 0 0 GPRESSURE: 45500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45500 215.1069 677.1941 381.9686 40.1371 -1778.0128 -297.3377 0.0000 0.0000 960.4850 199.5413 315.8040 210.8759 213.4684 315.8040 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45550 TCL: Running for 0 steps PRESSURE: 45550 0 0 0 0 0 0 0 0 0 GPRESSURE: 45550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45550 245.0824 684.3616 383.5213 45.3950 -1791.4224 -295.3810 0.0000 0.0000 958.7170 230.2739 315.2227 242.3721 241.9394 315.2227 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45600 TCL: Running for 0 steps PRESSURE: 45600 0 0 0 0 0 0 0 0 0 GPRESSURE: 45600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45600 243.9600 686.6903 391.9179 42.3750 -1796.8113 -293.4044 0.0000 0.0000 958.3372 233.0647 315.0978 244.7159 245.9866 315.0978 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45650 TCL: Running for 0 steps PRESSURE: 45650 0 0 0 0 0 0 0 0 0 GPRESSURE: 45650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45650 251.1917 730.2779 391.8987 47.7072 -1772.3449 -297.2310 0.0000 0.0000 959.8035 311.3031 315.5799 323.5488 322.5107 315.5799 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45700 TCL: Running for 0 steps PRESSURE: 45700 0 0 0 0 0 0 0 0 0 GPRESSURE: 45700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45700 244.6024 743.3788 391.1393 41.2097 -1765.0017 -303.2906 0.0000 0.0000 964.5037 316.5416 317.1253 328.7657 327.8732 317.1253 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45750 TCL: Running for 0 steps PRESSURE: 45750 0 0 0 0 0 0 0 0 0 GPRESSURE: 45750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45750 235.4253 685.7508 386.9271 41.3932 -1767.7810 -294.5286 0.0000 0.0000 954.1327 241.3196 313.7154 253.1808 253.7048 313.7154 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45800 TCL: Running for 0 steps PRESSURE: 45800 0 0 0 0 0 0 0 0 0 GPRESSURE: 45800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45800 219.8266 724.1983 396.1002 32.5202 -1805.8267 -290.2524 0.0000 0.0000 957.0134 233.5796 314.6626 245.8656 244.7641 314.6626 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45850 TCL: Running for 0 steps PRESSURE: 45850 0 0 0 0 0 0 0 0 0 GPRESSURE: 45850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45850 238.3165 742.0495 377.6782 32.9123 -1797.9842 -282.5385 0.0000 0.0000 952.9183 263.3521 313.3161 275.3176 275.4871 313.3161 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45900 TCL: Running for 0 steps PRESSURE: 45900 0 0 0 0 0 0 0 0 0 GPRESSURE: 45900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45900 228.1574 713.6457 389.7675 33.7962 -1796.5555 -296.4211 0.0000 0.0000 958.3643 230.7546 315.1067 243.0588 241.9475 315.1067 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 45950 TCL: Running for 0 steps PRESSURE: 45950 0 0 0 0 0 0 0 0 0 GPRESSURE: 45950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 45950 227.7986 714.6307 389.0891 41.1905 -1809.7227 -280.5916 0.0000 0.0000 960.8061 243.2007 315.9096 255.5499 254.3390 315.9096 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46000 TCL: Running for 0 steps PRESSURE: 46000 0 0 0 0 0 0 0 0 0 GPRESSURE: 46000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46000 240.8863 731.9146 390.7272 40.9181 -1793.8965 -307.3730 0.0000 0.0000 955.3869 258.5636 314.1278 270.1954 271.7506 314.1278 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46050 TCL: Running for 0 steps PRESSURE: 46050 0 0 0 0 0 0 0 0 0 GPRESSURE: 46050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46050 215.6391 720.9973 386.4023 44.2635 -1843.3629 -273.4482 0.0000 0.0000 954.4766 204.9678 313.8285 216.7460 217.6548 313.8285 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46100 TCL: Running for 0 steps PRESSURE: 46100 0 0 0 0 0 0 0 0 0 GPRESSURE: 46100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46100 251.7254 739.2686 381.2483 36.6948 -1828.9571 -287.4174 0.0000 0.0000 950.5707 243.1332 312.5442 255.3249 254.6266 312.5442 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46150 TCL: Running for 0 steps PRESSURE: 46150 0 0 0 0 0 0 0 0 0 GPRESSURE: 46150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46150 232.3941 759.8323 375.4340 44.1934 -1788.0576 -271.9950 0.0000 0.0000 961.3247 313.1258 316.0801 325.5422 324.0447 316.0801 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46200 TCL: Running for 0 steps PRESSURE: 46200 0 0 0 0 0 0 0 0 0 GPRESSURE: 46200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46200 240.5834 697.3044 356.4640 39.7726 -1789.4039 -290.3636 0.0000 0.0000 953.8221 208.1789 313.6133 219.7133 221.6168 313.6133 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46250 TCL: Running for 0 steps PRESSURE: 46250 0 0 0 0 0 0 0 0 0 GPRESSURE: 46250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46250 239.6695 706.7573 385.7153 39.4261 -1818.6597 -287.2080 0.0000 0.0000 953.3650 219.0655 313.4630 230.6359 232.2853 313.4630 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46300 TCL: Running for 0 steps PRESSURE: 46300 0 0 0 0 0 0 0 0 0 GPRESSURE: 46300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46300 255.8133 724.5044 387.6088 40.5145 -1818.4877 -289.1036 0.0000 0.0000 955.6505 256.5002 314.2144 268.5614 268.2674 314.2144 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46350 TCL: Running for 0 steps PRESSURE: 46350 0 0 0 0 0 0 0 0 0 GPRESSURE: 46350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46350 225.6988 708.9961 407.2571 41.3570 -1814.6784 -296.8589 0.0000 0.0000 951.1771 222.9488 312.7436 233.9719 237.5890 312.7436 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46400 TCL: Running for 0 steps PRESSURE: 46400 0 0 0 0 0 0 0 0 0 GPRESSURE: 46400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46400 244.1488 721.2280 382.7877 43.9499 -1788.0944 -292.0987 0.0000 0.0000 945.7102 257.6316 310.9461 269.8838 268.6660 310.9461 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46450 TCL: Running for 0 steps PRESSURE: 46450 0 0 0 0 0 0 0 0 0 GPRESSURE: 46450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46450 240.1415 716.2027 398.4594 42.0762 -1798.3672 -301.9753 0.0000 0.0000 954.9603 251.4976 313.9875 262.8969 264.9534 313.9875 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46500 TCL: Running for 0 steps PRESSURE: 46500 0 0 0 0 0 0 0 0 0 GPRESSURE: 46500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46500 205.1763 750.3504 390.2295 43.9135 -1819.9982 -278.3876 0.0000 0.0000 958.5702 249.8542 315.1744 261.7841 261.7223 315.1744 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46550 TCL: Running for 0 steps PRESSURE: 46550 0 0 0 0 0 0 0 0 0 GPRESSURE: 46550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46550 231.9698 715.0864 388.2601 43.2021 -1843.6245 -271.0195 0.0000 0.0000 947.5493 211.4236 311.5508 223.3270 223.3685 311.5508 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46600 TCL: Running for 0 steps PRESSURE: 46600 0 0 0 0 0 0 0 0 0 GPRESSURE: 46600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46600 238.7932 669.5528 395.8994 40.8915 -1813.7729 -266.1277 0.0000 0.0000 951.2522 216.4884 312.7683 227.8276 229.9824 312.7683 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46650 TCL: Running for 0 steps PRESSURE: 46650 0 0 0 0 0 0 0 0 0 GPRESSURE: 46650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46650 263.1691 701.9114 381.1245 40.5409 -1817.1828 -277.7499 0.0000 0.0000 953.8028 245.6160 313.6069 257.8246 256.5843 313.6069 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46700 TCL: Running for 0 steps PRESSURE: 46700 0 0 0 0 0 0 0 0 0 GPRESSURE: 46700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46700 244.3144 705.1129 392.4455 37.2209 -1831.6894 -318.7074 0.0000 0.0000 957.1506 185.8476 314.7077 197.2871 199.0086 314.7077 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46750 TCL: Running for 0 steps PRESSURE: 46750 0 0 0 0 0 0 0 0 0 GPRESSURE: 46750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46750 224.9084 679.3384 402.4270 41.2540 -1798.2748 -268.6257 0.0000 0.0000 952.3817 233.4089 313.1397 244.7394 246.7621 313.1397 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46800 TCL: Running for 0 steps PRESSURE: 46800 0 0 0 0 0 0 0 0 0 GPRESSURE: 46800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46800 246.6365 715.8922 392.6738 50.3600 -1772.7258 -302.7864 0.0000 0.0000 945.9505 276.0007 311.0251 287.9391 287.5558 311.0251 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46850 TCL: Running for 0 steps PRESSURE: 46850 0 0 0 0 0 0 0 0 0 GPRESSURE: 46850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46850 219.5715 712.2894 388.8180 49.7323 -1768.8529 -284.0530 0.0000 0.0000 960.8475 278.3528 315.9232 290.5663 289.1753 315.9232 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46900 TCL: Running for 0 steps PRESSURE: 46900 0 0 0 0 0 0 0 0 0 GPRESSURE: 46900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46900 259.0219 721.7127 387.2847 42.3366 -1783.0452 -302.9394 0.0000 0.0000 953.8673 278.2386 313.6281 290.3842 289.3345 313.6281 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 46950 TCL: Running for 0 steps PRESSURE: 46950 0 0 0 0 0 0 0 0 0 GPRESSURE: 46950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 46950 210.9595 726.3414 396.0855 43.9990 -1788.2639 -284.7099 0.0000 0.0000 956.6491 261.0607 314.5428 272.9241 272.9985 314.5428 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47000 TCL: Running for 0 steps PRESSURE: 47000 0 0 0 0 0 0 0 0 0 GPRESSURE: 47000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47000 254.5082 701.5894 388.0520 46.6255 -1794.2099 -309.5538 0.0000 0.0000 951.4657 238.4772 312.8385 250.4490 250.1120 312.8385 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47050 TCL: Running for 0 steps PRESSURE: 47050 0 0 0 0 0 0 0 0 0 GPRESSURE: 47050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47050 234.5653 742.8661 385.6581 42.7948 -1834.8748 -295.2750 0.0000 0.0000 952.0862 227.8206 313.0425 239.6486 239.8722 313.0425 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47100 TCL: Running for 0 steps PRESSURE: 47100 0 0 0 0 0 0 0 0 0 GPRESSURE: 47100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47100 273.5097 715.8383 395.8511 41.2711 -1799.9013 -310.5794 0.0000 0.0000 946.0521 262.0415 311.0585 274.7755 271.5875 311.0585 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47150 TCL: Running for 0 steps PRESSURE: 47150 0 0 0 0 0 0 0 0 0 GPRESSURE: 47150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47150 237.6677 751.0573 395.9972 40.3275 -1815.0167 -305.6657 0.0000 0.0000 950.8198 255.1871 312.6261 267.4835 266.1356 312.6261 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47200 TCL: Running for 0 steps PRESSURE: 47200 0 0 0 0 0 0 0 0 0 GPRESSURE: 47200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47200 233.3326 750.6708 384.5379 43.7199 -1822.2975 -307.8250 0.0000 0.0000 951.7061 233.8449 312.9175 246.0017 245.2616 312.9175 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47250 TCL: Running for 0 steps PRESSURE: 47250 0 0 0 0 0 0 0 0 0 GPRESSURE: 47250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47250 260.7699 703.4138 383.9601 37.5588 -1809.8251 -298.9231 0.0000 0.0000 954.0622 231.0167 313.6922 243.4507 241.7175 313.6922 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47300 TCL: Running for 0 steps PRESSURE: 47300 0 0 0 0 0 0 0 0 0 GPRESSURE: 47300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47300 231.6565 720.9710 379.5174 43.5663 -1792.5842 -289.4710 0.0000 0.0000 957.5293 251.1853 314.8322 263.4377 262.4938 314.8322 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47350 TCL: Running for 0 steps PRESSURE: 47350 0 0 0 0 0 0 0 0 0 GPRESSURE: 47350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47350 230.5840 729.1674 402.1760 43.6478 -1803.0111 -282.4420 0.0000 0.0000 952.4248 272.5469 313.1538 284.9522 283.4939 313.1538 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47400 TCL: Running for 0 steps PRESSURE: 47400 0 0 0 0 0 0 0 0 0 GPRESSURE: 47400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47400 221.9265 726.2124 383.9139 36.9171 -1750.5978 -308.9735 0.0000 0.0000 954.1753 263.5740 313.7294 275.6462 275.5284 313.7294 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47450 TCL: Running for 0 steps PRESSURE: 47450 0 0 0 0 0 0 0 0 0 GPRESSURE: 47450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47450 251.4105 727.7695 379.1570 42.8403 -1800.6324 -307.4545 0.0000 0.0000 951.9000 244.9904 312.9813 257.3738 256.0961 312.9813 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47500 TCL: Running for 0 steps PRESSURE: 47500 0 0 0 0 0 0 0 0 0 GPRESSURE: 47500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47500 228.7202 712.6154 404.8900 46.8708 -1764.8563 -304.9776 0.0000 0.0000 960.4331 283.6957 315.7870 295.8775 295.4358 315.7870 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47550 TCL: Running for 0 steps PRESSURE: 47550 0 0 0 0 0 0 0 0 0 GPRESSURE: 47550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47550 240.4236 731.2257 394.3733 43.2977 -1800.9153 -307.0969 0.0000 0.0000 958.4061 259.7141 315.1205 271.6198 272.2409 315.1205 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47600 TCL: Running for 0 steps PRESSURE: 47600 0 0 0 0 0 0 0 0 0 GPRESSURE: 47600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47600 230.0624 706.4721 397.1947 36.1948 -1782.4800 -292.4535 0.0000 0.0000 959.3852 254.3756 315.4424 266.2682 266.8994 315.4424 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47650 TCL: Running for 0 steps PRESSURE: 47650 0 0 0 0 0 0 0 0 0 GPRESSURE: 47650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47650 247.7671 719.9880 380.2964 33.0479 -1855.4850 -261.7696 0.0000 0.0000 949.8125 213.6574 312.2949 225.2711 226.9088 312.2949 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47700 TCL: Running for 0 steps PRESSURE: 47700 0 0 0 0 0 0 0 0 0 GPRESSURE: 47700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47700 235.9638 678.7036 391.2088 34.0899 -1806.1464 -304.8359 0.0000 0.0000 958.5838 187.5675 315.1789 199.2270 200.5905 315.1789 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47750 TCL: Running for 0 steps PRESSURE: 47750 0 0 0 0 0 0 0 0 0 GPRESSURE: 47750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47750 239.5593 713.1515 396.0539 44.0390 -1795.8765 -303.5110 0.0000 0.0000 954.9161 248.3323 313.9730 260.4672 259.9630 313.9730 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47800 TCL: Running for 0 steps PRESSURE: 47800 0 0 0 0 0 0 0 0 0 GPRESSURE: 47800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47800 234.3102 728.5357 384.1261 39.8422 -1819.8393 -300.8747 0.0000 0.0000 953.3895 219.4898 313.4710 231.3598 231.8804 313.4710 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47850 TCL: Running for 0 steps PRESSURE: 47850 0 0 0 0 0 0 0 0 0 GPRESSURE: 47850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47850 241.0586 699.1162 390.6299 43.8731 -1824.5154 -288.2334 0.0000 0.0000 953.2960 215.2251 313.4403 227.1189 227.5177 313.4403 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47900 TCL: Running for 0 steps PRESSURE: 47900 0 0 0 0 0 0 0 0 0 GPRESSURE: 47900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47900 246.9862 726.0039 387.6218 42.5209 -1787.4909 -295.4456 0.0000 0.0000 954.9789 275.1752 313.9936 287.8245 285.3653 313.9936 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 47950 TCL: Running for 0 steps PRESSURE: 47950 0 0 0 0 0 0 0 0 0 GPRESSURE: 47950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 47950 226.6360 714.8494 397.1935 38.4268 -1809.2451 -293.6554 0.0000 0.0000 957.9656 232.1707 314.9756 243.9085 245.0212 314.9756 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48000 TCL: Running for 0 steps PRESSURE: 48000 0 0 0 0 0 0 0 0 0 GPRESSURE: 48000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48000 249.4409 728.7714 412.1601 41.0857 -1811.6888 -270.0122 0.0000 0.0000 954.0545 303.8115 313.6897 316.3034 314.5187 313.6897 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48050 TCL: Running for 0 steps PRESSURE: 48050 0 0 0 0 0 0 0 0 0 GPRESSURE: 48050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48050 232.0324 706.1069 395.6279 40.8905 -1795.8155 -305.6993 0.0000 0.0000 956.9305 230.0734 314.6353 241.9572 242.5642 314.6353 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48100 TCL: Running for 0 steps PRESSURE: 48100 0 0 0 0 0 0 0 0 0 GPRESSURE: 48100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48100 238.9775 720.5612 411.2308 38.4897 -1767.2621 -318.9925 0.0000 0.0000 958.7271 281.7317 315.2260 293.6298 294.1453 315.2260 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48150 TCL: Running for 0 steps PRESSURE: 48150 0 0 0 0 0 0 0 0 0 GPRESSURE: 48150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48150 234.1683 752.0230 393.6232 45.1703 -1809.2112 -308.4997 0.0000 0.0000 958.4465 265.7203 315.1338 277.9153 277.2853 315.1338 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48200 TCL: Running for 0 steps PRESSURE: 48200 0 0 0 0 0 0 0 0 0 GPRESSURE: 48200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48200 251.2162 715.8082 399.9415 42.3630 -1812.5194 -299.0402 0.0000 0.0000 959.8566 257.6259 315.5974 269.8394 269.1795 315.5974 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48250 TCL: Running for 0 steps PRESSURE: 48250 0 0 0 0 0 0 0 0 0 GPRESSURE: 48250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48250 254.4867 682.7413 398.8618 43.6216 -1837.1953 -283.3863 0.0000 0.0000 962.9559 222.0856 316.6164 233.8257 234.9823 316.6164 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48300 TCL: Running for 0 steps PRESSURE: 48300 0 0 0 0 0 0 0 0 0 GPRESSURE: 48300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48300 237.0596 739.7371 389.8061 44.6203 -1828.0508 -278.0915 0.0000 0.0000 949.7441 254.8251 312.2724 267.0063 266.4363 312.2724 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48350 TCL: Running for 0 steps PRESSURE: 48350 0 0 0 0 0 0 0 0 0 GPRESSURE: 48350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48350 239.4254 697.2576 397.5111 45.5310 -1797.0557 -261.1780 0.0000 0.0000 950.2663 271.7577 312.4441 284.0038 283.2261 312.4441 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48400 TCL: Running for 0 steps PRESSURE: 48400 0 0 0 0 0 0 0 0 0 GPRESSURE: 48400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48400 231.6270 692.7973 407.7820 47.2927 -1791.8736 -298.5265 0.0000 0.0000 956.4008 245.4997 314.4611 257.2122 258.4840 314.4611 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48450 TCL: Running for 0 steps PRESSURE: 48450 0 0 0 0 0 0 0 0 0 GPRESSURE: 48450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48450 250.7980 713.9378 398.7471 37.7380 -1795.8419 -321.0889 0.0000 0.0000 947.6711 231.9612 311.5909 243.4869 245.3798 311.5909 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48500 TCL: Running for 0 steps PRESSURE: 48500 0 0 0 0 0 0 0 0 0 GPRESSURE: 48500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48500 244.7312 735.4550 392.8048 35.3271 -1760.9482 -291.8585 0.0000 0.0000 950.1891 305.7005 312.4188 318.3584 315.8874 312.4188 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48550 TCL: Running for 0 steps PRESSURE: 48550 0 0 0 0 0 0 0 0 0 GPRESSURE: 48550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48550 267.8918 703.8762 393.0820 38.9039 -1778.5671 -307.3825 0.0000 0.0000 955.2595 273.0638 314.0859 285.6513 283.5986 314.0859 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48600 TCL: Running for 0 steps PRESSURE: 48600 0 0 0 0 0 0 0 0 0 GPRESSURE: 48600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48600 260.8647 673.7110 389.0437 35.5589 -1796.8152 -298.1296 0.0000 0.0000 953.0084 217.2418 313.3457 229.5271 228.7358 313.3457 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48650 TCL: Running for 0 steps PRESSURE: 48650 0 0 0 0 0 0 0 0 0 GPRESSURE: 48650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48650 235.3559 763.1584 388.6196 38.5160 -1821.6984 -309.6038 0.0000 0.0000 950.2648 244.6125 312.4436 256.8384 256.3196 312.4436 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48700 TCL: Running for 0 steps PRESSURE: 48700 0 0 0 0 0 0 0 0 0 GPRESSURE: 48700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48700 228.8985 696.7227 411.3022 50.1740 -1820.4985 -284.8057 0.0000 0.0000 954.6123 236.4056 313.8731 247.8886 250.1879 313.8731 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48750 TCL: Running for 0 steps PRESSURE: 48750 0 0 0 0 0 0 0 0 0 GPRESSURE: 48750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48750 244.5383 719.5433 394.1922 46.4289 -1816.4921 -294.5004 0.0000 0.0000 957.5650 251.2751 314.8439 263.4584 262.9879 314.8439 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48800 TCL: Running for 0 steps PRESSURE: 48800 0 0 0 0 0 0 0 0 0 GPRESSURE: 48800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48800 238.5953 741.5557 400.2432 46.5551 -1840.5270 -289.8408 0.0000 0.0000 961.7421 258.3236 316.2173 270.6915 269.5579 316.2173 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48850 TCL: Running for 0 steps PRESSURE: 48850 0 0 0 0 0 0 0 0 0 GPRESSURE: 48850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48850 236.2152 732.5963 391.7206 50.9032 -1812.2583 -309.9908 0.0000 0.0000 953.6683 242.8544 313.5627 255.5976 253.1276 313.5627 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48900 TCL: Running for 0 steps PRESSURE: 48900 0 0 0 0 0 0 0 0 0 GPRESSURE: 48900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48900 253.9762 686.1769 394.6903 42.9046 -1809.0648 -295.0755 0.0000 0.0000 959.3658 232.9735 315.4360 245.3329 244.4567 315.4360 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 48950 TCL: Running for 0 steps PRESSURE: 48950 0 0 0 0 0 0 0 0 0 GPRESSURE: 48950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 48950 236.6787 702.1580 397.2649 49.1126 -1806.3471 -299.0260 0.0000 0.0000 957.1889 237.0300 314.7203 249.4846 248.3063 314.7203 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49000 TCL: Running for 0 steps PRESSURE: 49000 0 0 0 0 0 0 0 0 0 GPRESSURE: 49000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49000 247.7780 706.9823 375.5753 41.4754 -1828.4940 -269.1833 0.0000 0.0000 947.4179 221.5516 311.5076 234.1330 232.5525 311.5076 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49050 TCL: Running for 0 steps PRESSURE: 49050 0 0 0 0 0 0 0 0 0 GPRESSURE: 49050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49050 241.9779 682.0762 389.3351 47.3205 -1784.9407 -303.3561 0.0000 0.0000 950.9846 223.3975 312.6803 235.2347 236.5437 312.6803 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49100 TCL: Running for 0 steps PRESSURE: 49100 0 0 0 0 0 0 0 0 0 GPRESSURE: 49100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49100 249.4165 710.9189 399.1278 49.3175 -1791.7772 -297.8350 0.0000 0.0000 953.9060 273.0745 313.6409 285.2482 285.2138 313.6409 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49150 TCL: Running for 0 steps PRESSURE: 49150 0 0 0 0 0 0 0 0 0 GPRESSURE: 49150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49150 232.0275 732.0295 382.6388 46.6400 -1828.2505 -293.2518 0.0000 0.0000 957.3523 229.1859 314.7740 240.7336 243.0487 314.7740 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49200 TCL: Running for 0 steps PRESSURE: 49200 0 0 0 0 0 0 0 0 0 GPRESSURE: 49200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49200 225.4186 699.4965 382.6534 40.7027 -1796.2778 -273.8078 0.0000 0.0000 951.2081 229.3936 312.7538 241.0787 242.7342 312.7538 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49250 TCL: Running for 0 steps PRESSURE: 49250 0 0 0 0 0 0 0 0 0 GPRESSURE: 49250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49250 257.4670 690.2123 382.5557 45.2857 -1802.4328 -274.7663 0.0000 0.0000 961.0116 259.3333 315.9772 271.2368 271.9696 315.9772 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49300 TCL: Running for 0 steps PRESSURE: 49300 0 0 0 0 0 0 0 0 0 GPRESSURE: 49300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49300 258.8647 686.9379 399.4893 40.3397 -1800.2398 -273.7396 0.0000 0.0000 961.9563 273.6083 316.2878 285.8703 285.2130 316.2878 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49350 TCL: Running for 0 steps PRESSURE: 49350 0 0 0 0 0 0 0 0 0 GPRESSURE: 49350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49350 233.9331 680.4578 399.3693 45.8487 -1806.3662 -295.5706 0.0000 0.0000 955.7582 213.4304 314.2499 224.9986 226.9839 314.2499 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49400 TCL: Running for 0 steps PRESSURE: 49400 0 0 0 0 0 0 0 0 0 GPRESSURE: 49400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49400 222.8276 723.1190 380.5256 40.5102 -1808.7369 -286.8825 0.0000 0.0000 957.0013 228.3643 314.6586 240.0352 241.5116 314.6586 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49450 TCL: Running for 0 steps PRESSURE: 49450 0 0 0 0 0 0 0 0 0 GPRESSURE: 49450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49450 230.0207 742.6762 383.6159 53.3479 -1824.3489 -291.7520 0.0000 0.0000 957.1480 250.7078 314.7068 262.6338 263.0610 314.7068 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49500 TCL: Running for 0 steps PRESSURE: 49500 0 0 0 0 0 0 0 0 0 GPRESSURE: 49500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49500 234.4557 690.3666 384.0826 42.1783 -1829.2928 -240.0328 0.0000 0.0000 962.9513 244.7090 316.6149 256.3656 257.7766 316.6149 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49550 TCL: Running for 0 steps PRESSURE: 49550 0 0 0 0 0 0 0 0 0 GPRESSURE: 49550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49550 253.3913 695.9556 385.1851 43.7117 -1845.8211 -285.3196 0.0000 0.0000 963.0349 210.1379 316.6424 221.6284 223.5740 316.6424 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49600 TCL: Running for 0 steps PRESSURE: 49600 0 0 0 0 0 0 0 0 0 GPRESSURE: 49600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49600 233.5618 707.8831 392.0452 47.2127 -1834.3955 -300.2611 0.0000 0.0000 959.3108 205.3570 315.4179 216.6955 219.0897 315.4179 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49650 TCL: Running for 0 steps PRESSURE: 49650 0 0 0 0 0 0 0 0 0 GPRESSURE: 49650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49650 225.8257 734.1223 382.4207 36.4946 -1855.9311 -284.1821 0.0000 0.0000 959.8034 198.5536 315.5799 209.8236 212.3249 315.5799 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49700 TCL: Running for 0 steps PRESSURE: 49700 0 0 0 0 0 0 0 0 0 GPRESSURE: 49700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49700 254.4943 717.6416 382.5771 51.3253 -1836.5767 -295.5600 0.0000 0.0000 963.7445 237.6461 316.8757 249.7720 248.9071 316.8757 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49750 TCL: Running for 0 steps PRESSURE: 49750 0 0 0 0 0 0 0 0 0 GPRESSURE: 49750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49750 230.8041 708.9461 385.5911 43.8108 -1829.1463 -308.8386 0.0000 0.0000 964.7439 195.9110 317.2043 207.2999 209.2529 317.2043 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49800 TCL: Running for 0 steps PRESSURE: 49800 0 0 0 0 0 0 0 0 0 GPRESSURE: 49800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49800 247.4050 730.1101 392.5739 47.7637 -1864.5152 -294.2566 0.0000 0.0000 960.3679 219.4488 315.7655 231.4064 231.1048 315.7655 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49850 TCL: Running for 0 steps PRESSURE: 49850 0 0 0 0 0 0 0 0 0 GPRESSURE: 49850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49850 232.3587 664.1085 387.8438 44.2662 -1814.3994 -308.3804 0.0000 0.0000 962.3209 168.1182 316.4076 179.4343 181.5573 316.4076 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49900 TCL: Running for 0 steps PRESSURE: 49900 0 0 0 0 0 0 0 0 0 GPRESSURE: 49900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49900 248.1667 689.6272 393.1685 42.9126 -1844.6094 -306.2397 0.0000 0.0000 963.8944 186.9202 316.9250 198.5743 199.2970 316.9250 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 49950 TCL: Running for 0 steps PRESSURE: 49950 0 0 0 0 0 0 0 0 0 GPRESSURE: 49950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 49950 270.9319 675.1230 377.9639 37.2866 -1824.6294 -303.3471 0.0000 0.0000 962.9088 196.2378 316.6010 208.0173 208.2246 316.6010 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50000 TCL: Running for 0 steps PRESSURE: 50000 0 0 0 0 0 0 0 0 0 GPRESSURE: 50000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50000 252.5380 689.3245 382.2785 36.4823 -1815.1118 -299.8926 0.0000 0.0000 963.5647 209.1837 316.8166 221.1649 220.6026 316.8166 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50050 TCL: Running for 0 steps PRESSURE: 50050 0 0 0 0 0 0 0 0 0 GPRESSURE: 50050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50050 249.3496 706.2770 401.8917 53.9834 -1849.7146 -284.3864 0.0000 0.0000 966.3701 243.7707 317.7390 255.6655 255.4624 317.7390 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50100 TCL: Running for 0 steps PRESSURE: 50100 0 0 0 0 0 0 0 0 0 GPRESSURE: 50100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50100 250.0242 723.2096 386.5282 39.6754 -1833.1880 -270.6736 0.0000 0.0000 955.1901 250.7658 314.0631 263.0129 261.5015 314.0631 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50150 TCL: Running for 0 steps PRESSURE: 50150 0 0 0 0 0 0 0 0 0 GPRESSURE: 50150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50150 244.8780 736.8542 390.0636 31.4640 -1842.7633 -278.9558 0.0000 0.0000 961.8177 243.3584 316.2422 255.4028 254.7461 316.2422 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50200 TCL: Running for 0 steps PRESSURE: 50200 0 0 0 0 0 0 0 0 0 GPRESSURE: 50200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50200 241.7411 749.2941 403.8137 40.9173 -1843.5927 -306.3606 0.0000 0.0000 963.1896 249.0025 316.6933 261.5301 259.1024 316.6933 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50250 TCL: Running for 0 steps PRESSURE: 50250 0 0 0 0 0 0 0 0 0 GPRESSURE: 50250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50250 239.0586 744.5421 387.7100 40.3325 -1851.9527 -273.3894 0.0000 0.0000 957.5649 243.8660 314.8439 256.1684 254.7368 314.8439 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50300 TCL: Running for 0 steps PRESSURE: 50300 0 0 0 0 0 0 0 0 0 GPRESSURE: 50300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50300 208.6836 707.1350 394.6658 43.9476 -1831.5084 -285.6954 0.0000 0.0000 957.2305 194.4586 314.7339 206.3456 206.5612 314.7339 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50350 TCL: Running for 0 steps PRESSURE: 50350 0 0 0 0 0 0 0 0 0 GPRESSURE: 50350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50350 231.7051 726.8906 388.5610 45.9367 -1808.9840 -297.5345 0.0000 0.0000 953.0758 239.6508 313.3679 251.9658 250.5633 313.3679 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50400 TCL: Running for 0 steps PRESSURE: 50400 0 0 0 0 0 0 0 0 0 GPRESSURE: 50400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50400 264.4661 669.9374 400.9137 35.9681 -1809.9560 -300.7076 0.0000 0.0000 956.6033 217.2251 314.5277 229.0433 229.5913 314.5277 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50450 TCL: Running for 0 steps PRESSURE: 50450 0 0 0 0 0 0 0 0 0 GPRESSURE: 50450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50450 240.9532 719.2847 390.5559 37.5586 -1828.2205 -304.5326 0.0000 0.0000 957.9487 213.5480 314.9701 225.4244 225.7198 314.9701 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50500 TCL: Running for 0 steps PRESSURE: 50500 0 0 0 0 0 0 0 0 0 GPRESSURE: 50500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50500 226.5443 690.6352 388.6663 44.5295 -1781.9835 -294.4677 0.0000 0.0000 958.5336 232.4578 315.1624 243.9712 245.6093 315.1624 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50550 TCL: Running for 0 steps PRESSURE: 50550 0 0 0 0 0 0 0 0 0 GPRESSURE: 50550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50550 221.8049 701.4317 384.5619 40.5305 -1814.4063 -294.5975 0.0000 0.0000 960.2290 199.5541 315.7198 210.9209 213.0064 315.7198 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50600 TCL: Running for 0 steps PRESSURE: 50600 0 0 0 0 0 0 0 0 0 GPRESSURE: 50600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50600 259.2919 750.0086 389.4852 38.3764 -1860.8558 -289.8298 0.0000 0.0000 958.7739 245.2503 315.2414 257.6455 255.7441 315.2414 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50650 TCL: Running for 0 steps PRESSURE: 50650 0 0 0 0 0 0 0 0 0 GPRESSURE: 50650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50650 250.8487 707.3559 374.2802 40.2018 -1812.0253 -290.0780 0.0000 0.0000 962.2307 232.8139 316.3780 245.1572 243.5695 316.3780 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50700 TCL: Running for 0 steps PRESSURE: 50700 0 0 0 0 0 0 0 0 0 GPRESSURE: 50700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50700 244.2651 685.2263 386.0427 46.6425 -1794.4379 -279.2082 0.0000 0.0000 963.2630 251.7934 316.7174 263.7785 263.6330 316.7174 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50750 TCL: Running for 0 steps PRESSURE: 50750 0 0 0 0 0 0 0 0 0 GPRESSURE: 50750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50750 219.5502 710.3978 398.7071 42.6187 -1787.3607 -289.2639 0.0000 0.0000 954.5597 249.2089 313.8558 260.9144 261.8264 313.8558 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50800 TCL: Running for 0 steps PRESSURE: 50800 0 0 0 0 0 0 0 0 0 GPRESSURE: 50800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50800 209.1398 714.7896 374.9481 41.8381 -1768.9691 -284.5382 0.0000 0.0000 960.0004 247.2087 315.6447 258.2834 261.5040 315.6447 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50850 TCL: Running for 0 steps PRESSURE: 50850 0 0 0 0 0 0 0 0 0 GPRESSURE: 50850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50850 230.1587 717.5344 382.9450 36.2639 -1758.2835 -300.5148 0.0000 0.0000 963.2062 271.3098 316.6987 283.2799 282.9417 316.6987 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50900 TCL: Running for 0 steps PRESSURE: 50900 0 0 0 0 0 0 0 0 0 GPRESSURE: 50900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50900 209.1902 741.6488 380.6597 37.3848 -1777.4790 -299.6301 0.0000 0.0000 952.9861 244.7605 313.3384 256.3885 257.3543 313.3384 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 50950 TCL: Running for 0 steps PRESSURE: 50950 0 0 0 0 0 0 0 0 0 GPRESSURE: 50950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 50950 232.9651 685.6514 390.1057 38.8542 -1761.5731 -295.5039 0.0000 0.0000 958.2750 248.7743 315.0774 260.3964 261.3240 315.0774 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51000 TCL: Running for 0 steps PRESSURE: 51000 0 0 0 0 0 0 0 0 0 GPRESSURE: 51000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51000 240.1813 721.3303 376.0835 49.2158 -1769.7317 -294.5142 0.0000 0.0000 959.4510 282.0160 315.4640 294.6451 291.7384 315.4640 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51050 TCL: Running for 0 steps PRESSURE: 51050 0 0 0 0 0 0 0 0 0 GPRESSURE: 51050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51050 234.5517 707.1126 377.0363 36.8145 -1813.2363 -269.6930 0.0000 0.0000 962.2668 234.8526 316.3898 246.7237 246.8413 316.3898 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51100 TCL: Running for 0 steps PRESSURE: 51100 0 0 0 0 0 0 0 0 0 GPRESSURE: 51100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51100 240.7116 725.4523 385.3793 45.2490 -1814.3508 -311.2858 0.0000 0.0000 964.9908 236.1463 317.2855 247.8848 248.4920 317.2855 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51150 TCL: Running for 0 steps PRESSURE: 51150 0 0 0 0 0 0 0 0 0 GPRESSURE: 51150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51150 257.3742 726.7460 387.7352 47.5778 -1808.0313 -281.7163 0.0000 0.0000 958.2605 287.9460 315.0726 300.7518 297.3189 315.0726 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51200 TCL: Running for 0 steps PRESSURE: 51200 0 0 0 0 0 0 0 0 0 GPRESSURE: 51200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51200 228.9994 713.2716 375.0076 40.5707 -1783.4740 -300.8112 0.0000 0.0000 954.4130 227.9771 313.8076 240.3014 238.8884 313.8076 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51250 TCL: Running for 0 steps PRESSURE: 51250 0 0 0 0 0 0 0 0 0 GPRESSURE: 51250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51250 246.9210 700.3358 399.7181 35.5450 -1803.1307 -309.7744 0.0000 0.0000 957.8515 227.4663 314.9381 239.3391 239.7078 314.9381 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51300 TCL: Running for 0 steps PRESSURE: 51300 0 0 0 0 0 0 0 0 0 GPRESSURE: 51300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51300 238.6368 701.8804 393.5668 37.4125 -1791.9017 -304.1114 0.0000 0.0000 958.3848 233.8683 315.1135 245.7945 245.9398 315.1135 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51350 TCL: Running for 0 steps PRESSURE: 51350 0 0 0 0 0 0 0 0 0 GPRESSURE: 51350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51350 241.9484 744.5267 389.6442 42.9889 -1822.1975 -298.1134 0.0000 0.0000 960.5899 259.3872 315.8385 271.4227 271.1491 315.8385 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51400 TCL: Running for 0 steps PRESSURE: 51400 0 0 0 0 0 0 0 0 0 GPRESSURE: 51400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51400 251.9001 705.3701 388.9123 41.3701 -1796.2185 -290.6339 0.0000 0.0000 953.2610 253.9612 313.4288 266.1356 265.3583 313.4288 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51450 TCL: Running for 0 steps PRESSURE: 51450 0 0 0 0 0 0 0 0 0 GPRESSURE: 51450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51450 227.6479 759.2845 395.2803 49.7673 -1821.9577 -272.0644 0.0000 0.0000 961.0582 299.0161 315.9925 311.9038 308.5003 315.9925 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51500 TCL: Running for 0 steps PRESSURE: 51500 0 0 0 0 0 0 0 0 0 GPRESSURE: 51500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51500 259.9838 677.7427 392.0809 36.8900 -1765.6388 -295.9859 0.0000 0.0000 956.6728 261.7455 314.5506 273.3862 274.8713 314.5506 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51550 TCL: Running for 0 steps PRESSURE: 51550 0 0 0 0 0 0 0 0 0 GPRESSURE: 51550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51550 238.3060 715.1990 395.3525 39.7650 -1804.2974 -282.4174 0.0000 0.0000 953.1896 255.0972 313.4053 266.9311 267.5989 313.4053 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51600 TCL: Running for 0 steps PRESSURE: 51600 0 0 0 0 0 0 0 0 0 GPRESSURE: 51600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51600 244.1191 705.6275 395.7659 53.1428 -1788.5449 -275.2189 0.0000 0.0000 964.3399 299.2313 317.0715 311.1204 311.5397 317.0715 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51650 TCL: Running for 0 steps PRESSURE: 51650 0 0 0 0 0 0 0 0 0 GPRESSURE: 51650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51650 236.5038 693.0233 397.4556 49.7802 -1817.0494 -281.1669 0.0000 0.0000 957.0060 235.5525 314.6601 247.6486 247.2655 314.6601 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51700 TCL: Running for 0 steps PRESSURE: 51700 0 0 0 0 0 0 0 0 0 GPRESSURE: 51700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51700 243.0387 747.7817 394.2816 43.2130 -1816.1986 -275.5868 0.0000 0.0000 958.0137 294.5433 314.9915 307.4309 304.1035 314.9915 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51750 TCL: Running for 0 steps PRESSURE: 51750 0 0 0 0 0 0 0 0 0 GPRESSURE: 51750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51750 253.0566 724.1287 391.0552 45.8138 -1794.1612 -318.9821 0.0000 0.0000 959.9577 260.8686 315.6306 273.4700 271.4239 315.6306 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51800 TCL: Running for 0 steps PRESSURE: 51800 0 0 0 0 0 0 0 0 0 GPRESSURE: 51800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51800 247.4255 727.3263 380.7423 37.0641 -1795.1426 -276.5172 0.0000 0.0000 954.0240 274.9224 313.6797 287.5164 285.6256 313.6797 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51850 TCL: Running for 0 steps PRESSURE: 51850 0 0 0 0 0 0 0 0 0 GPRESSURE: 51850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51850 247.2037 730.4246 397.0824 45.3624 -1758.5140 -295.7395 0.0000 0.0000 955.4777 321.2973 314.1576 334.0236 331.7552 314.1576 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51900 TCL: Running for 0 steps PRESSURE: 51900 0 0 0 0 0 0 0 0 0 GPRESSURE: 51900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51900 231.0366 694.6758 399.9973 37.7874 -1774.2860 -290.1833 0.0000 0.0000 953.4183 252.4459 313.4805 264.2638 265.5435 313.4805 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 51950 TCL: Running for 0 steps PRESSURE: 51950 0 0 0 0 0 0 0 0 0 GPRESSURE: 51950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 51950 236.9044 722.7175 384.9324 39.1349 -1807.6482 -306.7363 0.0000 0.0000 951.3863 220.6911 312.8124 232.8100 232.8812 312.8124 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52000 TCL: Running for 0 steps PRESSURE: 52000 0 0 0 0 0 0 0 0 0 GPRESSURE: 52000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52000 246.9717 711.6910 379.1892 42.5155 -1821.4367 -277.3767 0.0000 0.0000 954.0551 235.6091 313.6899 247.7708 247.6768 313.6899 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52050 TCL: Running for 0 steps PRESSURE: 52050 0 0 0 0 0 0 0 0 0 GPRESSURE: 52050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52050 215.1671 733.7233 387.2566 41.1490 -1842.7030 -281.6767 0.0000 0.0000 950.0324 202.9487 312.3672 214.5025 216.6940 312.3672 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52100 TCL: Running for 0 steps PRESSURE: 52100 0 0 0 0 0 0 0 0 0 GPRESSURE: 52100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52100 239.7434 764.5199 387.3981 41.2663 -1766.1251 -308.1462 0.0000 0.0000 953.5877 312.2442 313.5362 325.1078 322.2508 313.5362 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52150 TCL: Running for 0 steps PRESSURE: 52150 0 0 0 0 0 0 0 0 0 GPRESSURE: 52150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52150 236.9638 673.4246 389.4730 39.5877 -1807.8844 -276.5421 0.0000 0.0000 956.8010 211.8235 314.5927 223.4909 225.2980 314.5927 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52200 TCL: Running for 0 steps PRESSURE: 52200 0 0 0 0 0 0 0 0 0 GPRESSURE: 52200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52200 207.5325 722.7394 399.5612 46.2395 -1798.9644 -292.5099 0.0000 0.0000 958.4917 243.0902 315.1486 255.1829 255.2820 315.1486 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52250 TCL: Running for 0 steps PRESSURE: 52250 0 0 0 0 0 0 0 0 0 GPRESSURE: 52250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52250 234.8269 651.0123 377.5891 40.7570 -1794.9931 -291.0312 0.0000 0.0000 958.3925 176.5535 315.1160 187.7639 191.1658 315.1160 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52300 TCL: Running for 0 steps PRESSURE: 52300 0 0 0 0 0 0 0 0 0 GPRESSURE: 52300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52300 248.4850 732.0110 390.8487 42.8192 -1809.2998 -293.1204 0.0000 0.0000 950.1929 261.9366 312.4200 274.2195 273.3867 312.4200 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52350 TCL: Running for 0 steps PRESSURE: 52350 0 0 0 0 0 0 0 0 0 GPRESSURE: 52350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52350 218.4461 666.0436 388.0371 46.3259 -1815.5525 -280.2612 0.0000 0.0000 954.8193 177.8584 313.9412 188.8949 192.7885 313.9412 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52400 TCL: Running for 0 steps PRESSURE: 52400 0 0 0 0 0 0 0 0 0 GPRESSURE: 52400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52400 253.9153 687.8058 391.9898 50.6965 -1818.5927 -304.5023 0.0000 0.0000 956.4635 217.7760 314.4817 229.3722 230.9231 314.4817 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52450 TCL: Running for 0 steps PRESSURE: 52450 0 0 0 0 0 0 0 0 0 GPRESSURE: 52450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52450 223.4591 713.5820 375.2985 43.9908 -1799.7718 -289.2487 0.0000 0.0000 955.5465 222.8565 314.1803 235.0233 234.3380 314.1803 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52500 TCL: Running for 0 steps PRESSURE: 52500 0 0 0 0 0 0 0 0 0 GPRESSURE: 52500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52500 244.5940 699.7427 386.7973 40.6933 -1768.7133 -308.9556 0.0000 0.0000 958.1753 252.3338 315.0446 264.4507 263.9950 315.0446 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52550 TCL: Running for 0 steps PRESSURE: 52550 0 0 0 0 0 0 0 0 0 GPRESSURE: 52550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52550 228.7204 711.6203 380.0895 44.7691 -1775.6559 -311.7568 0.0000 0.0000 952.7411 230.5278 313.2578 242.3528 243.0202 313.2578 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52600 TCL: Running for 0 steps PRESSURE: 52600 0 0 0 0 0 0 0 0 0 GPRESSURE: 52600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52600 244.5375 715.1611 394.4394 33.9599 -1799.7440 -302.7298 0.0000 0.0000 954.5807 240.2049 313.8627 252.1852 252.2286 313.8627 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52650 TCL: Running for 0 steps PRESSURE: 52650 0 0 0 0 0 0 0 0 0 GPRESSURE: 52650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52650 231.3746 697.9346 397.9402 37.5498 -1792.4060 -294.0467 0.0000 0.0000 957.7353 236.0820 314.8999 247.4503 249.7859 314.8999 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52700 TCL: Running for 0 steps PRESSURE: 52700 0 0 0 0 0 0 0 0 0 GPRESSURE: 52700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52700 235.6475 722.6445 387.1769 39.6563 -1782.9468 -283.7456 0.0000 0.0000 963.0077 281.4406 316.6335 293.4575 293.2148 316.6335 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52750 TCL: Running for 0 steps PRESSURE: 52750 0 0 0 0 0 0 0 0 0 GPRESSURE: 52750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52750 232.4885 691.0502 388.8173 45.5645 -1766.7880 -299.1190 0.0000 0.0000 958.4063 250.4198 315.1205 262.1092 263.1099 315.1205 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52800 TCL: Running for 0 steps PRESSURE: 52800 0 0 0 0 0 0 0 0 0 GPRESSURE: 52800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52800 250.4532 682.6636 386.5555 47.4402 -1761.2697 -277.7534 0.0000 0.0000 958.3082 286.3976 315.0883 298.3702 298.2466 315.0883 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52850 TCL: Running for 0 steps PRESSURE: 52850 0 0 0 0 0 0 0 0 0 GPRESSURE: 52850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52850 255.9378 728.3582 396.7248 36.5741 -1793.2760 -287.5763 0.0000 0.0000 959.3860 296.1286 315.4427 308.7272 306.2637 315.4427 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52900 TCL: Running for 0 steps PRESSURE: 52900 0 0 0 0 0 0 0 0 0 GPRESSURE: 52900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52900 218.4023 692.9767 384.5927 39.3012 -1810.5146 -278.0704 0.0000 0.0000 956.2091 202.8970 314.3981 214.6273 215.5740 314.3981 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 52950 TCL: Running for 0 steps PRESSURE: 52950 0 0 0 0 0 0 0 0 0 GPRESSURE: 52950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 52950 247.4511 704.7640 389.7928 47.6328 -1833.9689 -271.6302 0.0000 0.0000 961.6477 245.6894 316.1863 257.3167 258.5902 316.1863 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53000 TCL: Running for 0 steps PRESSURE: 53000 0 0 0 0 0 0 0 0 0 GPRESSURE: 53000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53000 215.8739 685.6338 396.8710 50.5611 -1825.7852 -288.9534 0.0000 0.0000 957.6804 191.8816 314.8819 203.2571 205.3952 314.8819 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53050 TCL: Running for 0 steps PRESSURE: 53050 0 0 0 0 0 0 0 0 0 GPRESSURE: 53050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53050 238.8669 750.0481 383.4124 36.8317 -1825.5262 -278.4002 0.0000 0.0000 961.4707 266.7034 316.1281 279.2505 276.8618 316.1281 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53100 TCL: Running for 0 steps PRESSURE: 53100 0 0 0 0 0 0 0 0 0 GPRESSURE: 53100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53100 241.5873 725.5968 383.3883 35.1434 -1808.3357 -272.4209 0.0000 0.0000 947.7022 252.6615 311.6011 265.3857 262.4818 311.6011 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53150 TCL: Running for 0 steps PRESSURE: 53150 0 0 0 0 0 0 0 0 0 GPRESSURE: 53150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53150 241.7243 740.1859 378.3246 39.1130 -1784.9459 -290.0539 0.0000 0.0000 947.5721 271.9201 311.5583 284.0329 283.6036 311.5583 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53200 TCL: Running for 0 steps PRESSURE: 53200 0 0 0 0 0 0 0 0 0 GPRESSURE: 53200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53200 248.7763 737.6216 397.6388 40.0328 -1802.6183 -279.3640 0.0000 0.0000 954.8046 296.8917 313.9363 309.0214 308.5555 313.9363 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53250 TCL: Running for 0 steps PRESSURE: 53250 0 0 0 0 0 0 0 0 0 GPRESSURE: 53250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53250 250.5727 704.6097 400.5012 33.7979 -1798.9403 -271.8075 0.0000 0.0000 959.3206 278.0544 315.4212 290.3965 289.1629 315.4212 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53300 TCL: Running for 0 steps PRESSURE: 53300 0 0 0 0 0 0 0 0 0 GPRESSURE: 53300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53300 242.4086 698.5862 398.7058 40.8668 -1783.1382 -293.1658 0.0000 0.0000 956.3850 260.6484 314.4560 273.0249 271.7396 314.4560 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53350 TCL: Running for 0 steps PRESSURE: 53350 0 0 0 0 0 0 0 0 0 GPRESSURE: 53350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53350 223.5610 711.8471 382.8468 37.1258 -1733.2393 -301.1940 0.0000 0.0000 956.4865 277.4340 314.4893 289.4048 289.7213 314.4893 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53400 TCL: Running for 0 steps PRESSURE: 53400 0 0 0 0 0 0 0 0 0 GPRESSURE: 53400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53400 258.2369 683.6200 398.1032 45.0477 -1795.5737 -283.2150 0.0000 0.0000 954.7260 260.9452 313.9105 273.1168 272.6607 313.9105 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53450 TCL: Running for 0 steps PRESSURE: 53450 0 0 0 0 0 0 0 0 0 GPRESSURE: 53450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53450 237.5060 726.5142 386.7167 52.1618 -1802.2675 -276.2927 0.0000 0.0000 957.3231 281.6617 314.7644 293.4562 294.4424 314.7644 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53500 TCL: Running for 0 steps PRESSURE: 53500 0 0 0 0 0 0 0 0 0 GPRESSURE: 53500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53500 255.6702 708.5996 385.3516 44.8120 -1799.7625 -275.4920 0.0000 0.0000 951.8962 271.0750 312.9800 283.0666 283.2520 312.9800 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53550 TCL: Running for 0 steps PRESSURE: 53550 0 0 0 0 0 0 0 0 0 GPRESSURE: 53550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53550 234.3354 718.0500 387.2226 45.0841 -1815.9783 -278.6797 0.0000 0.0000 950.3237 240.3576 312.4630 252.6552 251.6815 312.4630 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53600 TCL: Running for 0 steps PRESSURE: 53600 0 0 0 0 0 0 0 0 0 GPRESSURE: 53600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53600 231.4838 692.5298 381.9779 41.5859 -1802.5220 -294.8891 0.0000 0.0000 954.8596 205.0259 313.9544 216.7594 217.9620 313.9544 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53650 TCL: Running for 0 steps PRESSURE: 53650 0 0 0 0 0 0 0 0 0 GPRESSURE: 53650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53650 219.9028 708.6275 386.7717 36.9386 -1803.1479 -301.4258 0.0000 0.0000 953.5600 201.2269 313.5271 212.5010 215.3513 313.5271 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53700 TCL: Running for 0 steps PRESSURE: 53700 0 0 0 0 0 0 0 0 0 GPRESSURE: 53700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53700 241.3304 718.8040 376.6962 34.7537 -1784.9439 -304.4163 0.0000 0.0000 954.1586 236.3827 313.7239 248.2787 248.6184 313.7239 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53750 TCL: Running for 0 steps PRESSURE: 53750 0 0 0 0 0 0 0 0 0 GPRESSURE: 53750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53750 234.8045 735.8260 387.2531 42.2008 -1825.4241 -289.7042 0.0000 0.0000 953.3175 238.2736 313.4474 250.2141 250.3661 313.4474 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53800 TCL: Running for 0 steps PRESSURE: 53800 0 0 0 0 0 0 0 0 0 GPRESSURE: 53800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53800 243.9018 695.5936 376.2265 39.7788 -1836.4715 -293.2840 0.0000 0.0000 957.9306 183.6759 314.9641 195.1107 197.1494 314.9641 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53850 TCL: Running for 0 steps PRESSURE: 53850 0 0 0 0 0 0 0 0 0 GPRESSURE: 53850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53850 238.4200 725.6288 402.3037 40.4648 -1821.0346 -283.0510 0.0000 0.0000 958.9995 261.7313 315.3156 273.8362 273.2345 315.3156 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53900 TCL: Running for 0 steps PRESSURE: 53900 0 0 0 0 0 0 0 0 0 GPRESSURE: 53900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53900 224.2063 712.1878 382.9935 48.8728 -1834.6279 -292.1947 0.0000 0.0000 950.4608 191.8987 312.5081 203.7095 204.2482 312.5081 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 53950 TCL: Running for 0 steps PRESSURE: 53950 0 0 0 0 0 0 0 0 0 GPRESSURE: 53950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 53950 228.5796 694.0894 387.8563 39.7098 -1818.9222 -285.8944 0.0000 0.0000 956.7549 202.1733 314.5776 213.3651 216.1913 314.5776 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54000 TCL: Running for 0 steps PRESSURE: 54000 0 0 0 0 0 0 0 0 0 GPRESSURE: 54000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54000 229.2583 716.5800 393.7303 35.7192 -1815.3472 -301.0267 0.0000 0.0000 959.5889 218.5027 315.5094 230.3008 230.6772 315.5094 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54050 TCL: Running for 0 steps PRESSURE: 54050 0 0 0 0 0 0 0 0 0 GPRESSURE: 54050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54050 236.3937 694.5620 393.7693 42.1537 -1807.4558 -285.4549 0.0000 0.0000 957.5585 231.5266 314.8418 243.3108 243.7156 314.8418 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54100 TCL: Running for 0 steps PRESSURE: 54100 0 0 0 0 0 0 0 0 0 GPRESSURE: 54100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54100 234.9660 702.5297 388.3212 45.4229 -1832.4149 -285.0724 0.0000 0.0000 954.7844 208.5370 313.9297 220.1949 221.0480 313.9297 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54150 TCL: Running for 0 steps PRESSURE: 54150 0 0 0 0 0 0 0 0 0 GPRESSURE: 54150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54150 233.9421 708.2854 386.0210 45.8305 -1814.2454 -285.0047 0.0000 0.0000 958.7652 233.5941 315.2386 245.3609 245.7525 315.2386 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54200 TCL: Running for 0 steps PRESSURE: 54200 0 0 0 0 0 0 0 0 0 GPRESSURE: 54200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54200 232.3322 712.0740 373.7546 50.9423 -1802.6451 -292.4947 0.0000 0.0000 958.3596 232.3230 315.1052 244.2394 244.0454 315.1052 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54250 TCL: Running for 0 steps PRESSURE: 54250 0 0 0 0 0 0 0 0 0 GPRESSURE: 54250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54250 228.2560 709.4048 372.2506 44.8986 -1809.6434 -300.1889 0.0000 0.0000 956.2742 201.2519 314.4195 213.3180 212.5747 314.4195 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54300 TCL: Running for 0 steps PRESSURE: 54300 0 0 0 0 0 0 0 0 0 GPRESSURE: 54300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54300 228.2896 727.0402 365.6851 35.7581 -1830.8803 -287.4392 0.0000 0.0000 955.7500 194.2034 314.2472 206.2386 205.6579 314.2472 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54350 TCL: Running for 0 steps PRESSURE: 54350 0 0 0 0 0 0 0 0 0 GPRESSURE: 54350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54350 232.6542 696.5806 368.0504 34.8456 -1832.3506 -284.9356 0.0000 0.0000 957.1224 171.9671 314.6984 183.6322 184.4754 314.6984 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54400 TCL: Running for 0 steps PRESSURE: 54400 0 0 0 0 0 0 0 0 0 GPRESSURE: 54400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54400 250.6385 715.1750 379.9117 37.5832 -1822.2861 -297.0227 0.0000 0.0000 960.6619 224.6616 315.8622 236.7286 236.0119 315.8622 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54450 TCL: Running for 0 steps PRESSURE: 54450 0 0 0 0 0 0 0 0 0 GPRESSURE: 54450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54450 226.7071 703.5699 378.8009 40.2506 -1794.1882 -299.1401 0.0000 0.0000 955.2326 211.2328 314.0771 222.9498 223.5903 314.0771 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54500 TCL: Running for 0 steps PRESSURE: 54500 0 0 0 0 0 0 0 0 0 GPRESSURE: 54500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54500 241.7764 702.7757 378.3286 34.4356 -1827.5602 -295.7402 0.0000 0.0000 954.1852 188.2011 313.7327 200.1023 200.0122 313.7327 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54550 TCL: Running for 0 steps PRESSURE: 54550 0 0 0 0 0 0 0 0 0 GPRESSURE: 54550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54550 248.0082 722.0677 390.6344 32.6973 -1853.2884 -277.4956 0.0000 0.0000 959.2188 221.8424 315.3877 234.3855 231.8941 315.3877 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54600 TCL: Running for 0 steps PRESSURE: 54600 0 0 0 0 0 0 0 0 0 GPRESSURE: 54600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54600 233.3562 734.5842 383.3048 38.6361 -1831.8762 -282.5300 0.0000 0.0000 959.9709 235.4461 315.6350 247.5124 246.9645 315.6350 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54650 TCL: Running for 0 steps PRESSURE: 54650 0 0 0 0 0 0 0 0 0 GPRESSURE: 54650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54650 233.7961 697.1807 356.8154 31.3668 -1808.8853 -273.7718 0.0000 0.0000 959.6149 196.1167 315.5179 207.8045 208.7104 315.5179 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54700 TCL: Running for 0 steps PRESSURE: 54700 0 0 0 0 0 0 0 0 0 GPRESSURE: 54700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54700 242.3231 725.3013 379.2206 45.6395 -1827.1476 -273.8126 0.0000 0.0000 965.5117 257.0360 317.4568 269.7008 266.8861 317.4568 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54750 TCL: Running for 0 steps PRESSURE: 54750 0 0 0 0 0 0 0 0 0 GPRESSURE: 54750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54750 259.9176 689.8483 366.0718 40.6922 -1856.6956 -270.4041 0.0000 0.0000 952.8032 182.2334 313.2783 193.6916 195.5777 313.2783 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54800 TCL: Running for 0 steps PRESSURE: 54800 0 0 0 0 0 0 0 0 0 GPRESSURE: 54800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54800 229.5658 700.3927 391.9559 42.2142 -1813.1829 -285.4097 0.0000 0.0000 955.7226 221.2586 314.2381 233.0121 233.6729 314.2381 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54850 TCL: Running for 0 steps PRESSURE: 54850 0 0 0 0 0 0 0 0 0 GPRESSURE: 54850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54850 261.2150 733.4571 374.2067 45.5912 -1836.0430 -288.1246 0.0000 0.0000 954.8201 245.1225 313.9414 257.5604 255.6136 313.9414 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54900 TCL: Running for 0 steps PRESSURE: 54900 0 0 0 0 0 0 0 0 0 GPRESSURE: 54900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54900 243.8464 676.1053 373.8549 40.9781 -1808.8779 -274.4669 0.0000 0.0000 954.8542 206.2940 313.9526 218.7588 216.8327 313.9526 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 54950 TCL: Running for 0 steps PRESSURE: 54950 0 0 0 0 0 0 0 0 0 GPRESSURE: 54950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 54950 228.7664 745.1309 390.9700 40.6737 -1801.7583 -291.1076 0.0000 0.0000 953.7430 266.4181 313.5873 279.1367 276.3790 313.5873 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55000 TCL: Running for 0 steps PRESSURE: 55000 0 0 0 0 0 0 0 0 0 GPRESSURE: 55000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55000 240.2443 699.9471 387.0384 45.7837 -1812.4600 -282.5020 0.0000 0.0000 955.7332 233.7846 314.2416 246.2427 244.6344 314.2416 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55050 TCL: Running for 0 steps PRESSURE: 55050 0 0 0 0 0 0 0 0 0 GPRESSURE: 55050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55050 227.4863 757.3263 369.1569 41.2529 -1819.4756 -291.6286 0.0000 0.0000 951.8144 235.9326 312.9531 248.5835 246.3526 312.9531 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55100 TCL: Running for 0 steps PRESSURE: 55100 0 0 0 0 0 0 0 0 0 GPRESSURE: 55100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55100 259.9608 702.4693 372.8927 41.4541 -1814.8552 -299.3661 0.0000 0.0000 958.3392 220.8948 315.0985 233.2164 232.3600 315.0985 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55150 TCL: Running for 0 steps PRESSURE: 55150 0 0 0 0 0 0 0 0 0 GPRESSURE: 55150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55150 232.9952 708.1518 383.9440 40.0679 -1834.8760 -294.9208 0.0000 0.0000 960.9517 196.3138 315.9575 207.9085 209.8315 315.9575 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55200 TCL: Running for 0 steps PRESSURE: 55200 0 0 0 0 0 0 0 0 0 GPRESSURE: 55200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55200 247.5672 720.6212 388.9560 41.0719 -1802.5242 -295.4465 0.0000 0.0000 955.7852 256.0308 314.2587 268.6437 266.6281 314.2587 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55250 TCL: Running for 0 steps PRESSURE: 55250 0 0 0 0 0 0 0 0 0 GPRESSURE: 55250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55250 202.4694 693.9252 380.4945 34.2815 -1780.5394 -281.8643 0.0000 0.0000 954.5684 203.3353 313.8586 214.8118 217.1836 313.8586 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55300 TCL: Running for 0 steps PRESSURE: 55300 0 0 0 0 0 0 0 0 0 GPRESSURE: 55300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55300 245.4815 710.0793 386.4226 41.2681 -1782.2493 -291.2770 0.0000 0.0000 953.6069 263.3322 313.5425 275.5357 275.0330 313.5425 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55350 TCL: Running for 0 steps PRESSURE: 55350 0 0 0 0 0 0 0 0 0 GPRESSURE: 55350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55350 238.1403 695.8586 375.1540 40.4951 -1743.2204 -289.8650 0.0000 0.0000 961.4711 278.0338 316.1282 290.5585 288.8829 316.1282 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55400 TCL: Running for 0 steps PRESSURE: 55400 0 0 0 0 0 0 0 0 0 GPRESSURE: 55400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55400 256.7257 720.1232 377.9482 41.4824 -1773.8158 -289.6611 0.0000 0.0000 957.0755 289.8782 314.6830 302.2513 301.2490 314.6830 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55450 TCL: Running for 0 steps PRESSURE: 55450 0 0 0 0 0 0 0 0 0 GPRESSURE: 55450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55450 245.6212 717.5536 367.2407 43.6965 -1787.4165 -283.6709 0.0000 0.0000 954.6998 257.7245 313.9018 270.0122 269.3926 313.9018 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55500 TCL: Running for 0 steps PRESSURE: 55500 0 0 0 0 0 0 0 0 0 GPRESSURE: 55500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55500 232.1270 703.5051 371.7519 37.9060 -1755.9106 -307.8133 0.0000 0.0000 959.2289 240.7949 315.3910 252.1581 255.0444 315.3910 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55550 TCL: Running for 0 steps PRESSURE: 55550 0 0 0 0 0 0 0 0 0 GPRESSURE: 55550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55550 250.3047 681.3586 390.0746 42.4788 -1783.9413 -278.5117 0.0000 0.0000 960.0962 261.8599 315.6762 273.7627 274.4447 315.6762 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55600 TCL: Running for 0 steps PRESSURE: 55600 0 0 0 0 0 0 0 0 0 GPRESSURE: 55600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55600 245.2897 712.0799 383.8690 37.3870 -1802.1219 -282.7670 0.0000 0.0000 957.1551 250.8919 314.7091 262.7419 263.5793 314.7091 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55650 TCL: Running for 0 steps PRESSURE: 55650 0 0 0 0 0 0 0 0 0 GPRESSURE: 55650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55650 241.4708 661.3429 379.7179 36.6050 -1779.4185 -284.1534 0.0000 0.0000 954.4865 210.0510 313.8317 221.5838 223.5588 313.8317 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55700 TCL: Running for 0 steps PRESSURE: 55700 0 0 0 0 0 0 0 0 0 GPRESSURE: 55700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55700 258.2006 703.4589 387.8308 44.0056 -1811.5675 -287.8384 0.0000 0.0000 959.9532 254.0432 315.6292 266.0864 266.0238 315.6292 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55750 TCL: Running for 0 steps PRESSURE: 55750 0 0 0 0 0 0 0 0 0 GPRESSURE: 55750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55750 248.9009 712.3651 393.0971 37.9719 -1776.5897 -305.9671 0.0000 0.0000 961.7491 271.5274 316.2197 282.9597 285.1918 316.2197 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55800 TCL: Running for 0 steps PRESSURE: 55800 0 0 0 0 0 0 0 0 0 GPRESSURE: 55800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55800 248.9158 732.7474 371.1046 40.1567 -1770.0285 -294.3331 0.0000 0.0000 962.5131 291.0761 316.4709 303.7312 301.2384 316.4709 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55850 TCL: Running for 0 steps PRESSURE: 55850 0 0 0 0 0 0 0 0 0 GPRESSURE: 55850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55850 254.0451 692.9323 395.6379 42.0593 -1775.3103 -280.7519 0.0000 0.0000 963.5312 292.1437 316.8056 304.3234 303.7690 316.8056 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55900 TCL: Running for 0 steps PRESSURE: 55900 0 0 0 0 0 0 0 0 0 GPRESSURE: 55900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55900 243.5720 693.0191 383.9997 53.2319 -1776.7389 -302.0509 0.0000 0.0000 960.7456 255.7784 315.8897 267.7081 268.1257 315.8897 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 55950 TCL: Running for 0 steps PRESSURE: 55950 0 0 0 0 0 0 0 0 0 GPRESSURE: 55950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 55950 226.8023 761.8316 385.5959 38.0623 -1809.2726 -281.0357 0.0000 0.0000 960.0129 281.9968 315.6488 294.1266 293.7679 315.6488 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56000 TCL: Running for 0 steps PRESSURE: 56000 0 0 0 0 0 0 0 0 0 GPRESSURE: 56000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56000 224.8619 712.0134 379.2587 41.2500 -1788.1437 -287.3570 0.0000 0.0000 952.8960 234.7791 313.3088 246.3648 248.0692 313.3088 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56050 TCL: Running for 0 steps PRESSURE: 56050 0 0 0 0 0 0 0 0 0 GPRESSURE: 56050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56050 231.8531 720.0311 388.2552 51.5069 -1790.7793 -298.8718 0.0000 0.0000 958.6590 260.6542 315.2036 272.5350 273.0258 315.2036 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56100 TCL: Running for 0 steps PRESSURE: 56100 0 0 0 0 0 0 0 0 0 GPRESSURE: 56100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56100 219.6319 692.4149 392.9210 44.0598 -1783.6148 -283.1577 0.0000 0.0000 956.0029 238.2580 314.3303 249.7691 251.6160 314.3303 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56150 TCL: Running for 0 steps PRESSURE: 56150 0 0 0 0 0 0 0 0 0 GPRESSURE: 56150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56150 245.4980 683.6254 401.5056 31.4759 -1772.6168 -288.6357 0.0000 0.0000 956.2404 257.0929 314.4084 269.1484 268.8379 314.4084 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56200 TCL: Running for 0 steps PRESSURE: 56200 0 0 0 0 0 0 0 0 0 GPRESSURE: 56200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56200 223.7344 751.0309 397.1199 39.7581 -1802.6416 -280.8031 0.0000 0.0000 959.8992 288.0978 315.6114 300.1134 299.9723 315.6114 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56250 TCL: Running for 0 steps PRESSURE: 56250 0 0 0 0 0 0 0 0 0 GPRESSURE: 56250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56250 255.9736 730.9590 399.1841 40.0842 -1801.3279 -293.7065 0.0000 0.0000 961.3508 292.5174 316.0887 304.8675 303.4806 316.0887 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56300 TCL: Running for 0 steps PRESSURE: 56300 0 0 0 0 0 0 0 0 0 GPRESSURE: 56300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56300 245.6061 722.6888 392.2228 36.5214 -1802.9575 -284.2363 0.0000 0.0000 960.8318 270.6771 315.9180 283.0966 281.5361 315.9180 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56350 TCL: Running for 0 steps PRESSURE: 56350 0 0 0 0 0 0 0 0 0 GPRESSURE: 56350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56350 227.2745 729.8660 385.9647 44.7541 -1822.2770 -295.4508 0.0000 0.0000 963.2124 233.3440 316.7008 244.8354 246.8526 316.7008 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56400 TCL: Running for 0 steps PRESSURE: 56400 0 0 0 0 0 0 0 0 0 GPRESSURE: 56400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56400 236.3090 706.0543 376.4653 45.8162 -1741.4731 -302.9023 0.0000 0.0000 962.3795 282.6489 316.4269 294.6926 294.5130 316.4269 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56450 TCL: Running for 0 steps PRESSURE: 56450 0 0 0 0 0 0 0 0 0 GPRESSURE: 56450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56450 222.9011 699.6783 390.7348 40.8481 -1766.5511 -294.8935 0.0000 0.0000 957.6241 250.3418 314.8634 261.4750 264.7209 314.8634 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56500 TCL: Running for 0 steps PRESSURE: 56500 0 0 0 0 0 0 0 0 0 GPRESSURE: 56500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56500 216.5541 700.8663 388.7226 39.6332 -1748.1276 -296.7351 0.0000 0.0000 957.8558 258.7693 314.9395 270.0383 272.5721 314.9395 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56550 TCL: Running for 0 steps PRESSURE: 56550 0 0 0 0 0 0 0 0 0 GPRESSURE: 56550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56550 243.7241 719.1019 393.4948 38.7895 -1790.7016 -293.0362 0.0000 0.0000 964.2772 275.6497 317.0509 287.4086 287.9470 317.0509 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56600 TCL: Running for 0 steps PRESSURE: 56600 0 0 0 0 0 0 0 0 0 GPRESSURE: 56600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56600 243.9266 709.5414 400.1881 41.7972 -1808.0057 -282.3333 0.0000 0.0000 959.9846 265.0991 315.6395 276.7916 277.5452 315.6395 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56650 TCL: Running for 0 steps PRESSURE: 56650 0 0 0 0 0 0 0 0 0 GPRESSURE: 56650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56650 249.7425 716.8728 402.6035 48.9161 -1749.7096 -305.4937 0.0000 0.0000 958.5600 321.4917 315.1711 333.9795 331.7037 315.1711 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56700 TCL: Running for 0 steps PRESSURE: 56700 0 0 0 0 0 0 0 0 0 GPRESSURE: 56700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56700 236.1674 691.0861 389.6804 49.3885 -1799.6397 -284.6129 0.0000 0.0000 961.4282 243.4981 316.1141 254.7122 257.3550 316.1141 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56750 TCL: Running for 0 steps PRESSURE: 56750 0 0 0 0 0 0 0 0 0 GPRESSURE: 56750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56750 250.2301 698.7767 377.6602 38.4992 -1763.0388 -310.9497 0.0000 0.0000 957.5140 248.6917 314.8271 260.4492 260.8893 314.8271 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56800 TCL: Running for 0 steps PRESSURE: 56800 0 0 0 0 0 0 0 0 0 GPRESSURE: 56800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56800 245.3049 703.1510 383.9263 37.2939 -1749.7658 -284.1416 0.0000 0.0000 958.6302 294.3989 315.1942 306.3583 306.0136 315.1942 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56850 TCL: Running for 0 steps PRESSURE: 56850 0 0 0 0 0 0 0 0 0 GPRESSURE: 56850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56850 229.7861 684.4660 382.0179 47.5068 -1780.3369 -290.2819 0.0000 0.0000 951.2817 224.4397 312.7780 236.2804 236.4022 312.7780 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56900 TCL: Running for 0 steps PRESSURE: 56900 0 0 0 0 0 0 0 0 0 GPRESSURE: 56900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56900 236.8191 708.0620 381.6637 37.1863 -1732.1446 -304.0023 0.0000 0.0000 953.3740 280.9582 313.4660 293.0689 292.1708 313.4660 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 56950 TCL: Running for 0 steps PRESSURE: 56950 0 0 0 0 0 0 0 0 0 GPRESSURE: 56950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 56950 225.1943 711.0882 383.0858 44.7468 -1763.8036 -304.6430 0.0000 0.0000 961.1986 256.8672 316.0387 269.1650 267.6213 316.0387 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57000 TCL: Running for 0 steps PRESSURE: 57000 0 0 0 0 0 0 0 0 0 GPRESSURE: 57000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57000 256.5672 704.1224 369.9759 37.9573 -1754.0890 -326.4718 0.0000 0.0000 956.4944 244.5563 314.4919 256.8619 255.3856 314.4919 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57050 TCL: Running for 0 steps PRESSURE: 57050 0 0 0 0 0 0 0 0 0 GPRESSURE: 57050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57050 235.6940 686.3877 383.4133 42.8435 -1759.8238 -299.2995 0.0000 0.0000 962.4835 251.6987 316.4611 263.6729 263.5313 316.4611 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57100 TCL: Running for 0 steps PRESSURE: 57100 0 0 0 0 0 0 0 0 0 GPRESSURE: 57100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57100 228.9418 735.7021 392.9118 44.3669 -1754.4755 -288.6269 0.0000 0.0000 954.8683 313.6886 313.9573 326.6515 322.8111 313.9573 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57150 TCL: Running for 0 steps PRESSURE: 57150 0 0 0 0 0 0 0 0 0 GPRESSURE: 57150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57150 237.6672 703.3895 381.5881 44.9237 -1752.5986 -302.8751 0.0000 0.0000 957.8940 269.9889 314.9521 282.3348 281.0483 314.9521 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57200 TCL: Running for 0 steps PRESSURE: 57200 0 0 0 0 0 0 0 0 0 GPRESSURE: 57200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57200 219.6494 709.8206 382.3033 46.5627 -1782.5867 -280.6384 0.0000 0.0000 960.8114 255.9222 315.9113 267.5140 269.1359 315.9113 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57250 TCL: Running for 0 steps PRESSURE: 57250 0 0 0 0 0 0 0 0 0 GPRESSURE: 57250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57250 257.2596 761.6715 398.5394 41.0527 -1809.3948 -290.0728 0.0000 0.0000 960.1147 319.1702 315.6822 331.7380 329.5986 315.6822 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57300 TCL: Running for 0 steps PRESSURE: 57300 0 0 0 0 0 0 0 0 0 GPRESSURE: 57300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57300 228.7040 694.0988 383.4489 40.2527 -1791.2038 -296.6860 0.0000 0.0000 961.2829 219.8976 316.0664 231.4009 233.3869 316.0664 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57350 TCL: Running for 0 steps PRESSURE: 57350 0 0 0 0 0 0 0 0 0 GPRESSURE: 57350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57350 222.8008 708.1001 385.9933 36.9942 -1725.1912 -289.3776 0.0000 0.0000 952.8097 292.1292 313.2804 304.3666 303.4754 313.2804 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57400 TCL: Running for 0 steps PRESSURE: 57400 0 0 0 0 0 0 0 0 0 GPRESSURE: 57400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57400 257.2736 710.1589 382.6870 39.2094 -1785.2983 -294.2179 0.0000 0.0000 959.9821 269.7948 315.6387 281.8153 281.7934 315.6387 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57450 TCL: Running for 0 steps PRESSURE: 57450 0 0 0 0 0 0 0 0 0 GPRESSURE: 57450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57450 230.2298 706.2643 387.4164 42.5082 -1791.8117 -286.2936 0.0000 0.0000 958.9938 247.3071 315.3137 259.1664 259.7504 315.3137 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57500 TCL: Running for 0 steps PRESSURE: 57500 0 0 0 0 0 0 0 0 0 GPRESSURE: 57500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57500 236.3907 737.9020 378.1029 36.1710 -1784.9424 -287.3834 0.0000 0.0000 962.2587 278.4995 316.3872 290.6234 290.1788 316.3872 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57550 TCL: Running for 0 steps PRESSURE: 57550 0 0 0 0 0 0 0 0 0 GPRESSURE: 57550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57550 244.2824 730.1775 380.1452 42.1633 -1804.6180 -311.5893 0.0000 0.0000 963.2087 243.7698 316.6996 255.6358 256.1860 316.6996 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57600 TCL: Running for 0 steps PRESSURE: 57600 0 0 0 0 0 0 0 0 0 GPRESSURE: 57600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57600 233.9743 693.0618 370.1307 35.6781 -1740.3882 -321.9942 0.0000 0.0000 959.2416 229.7041 315.3952 241.4950 242.2924 315.3952 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57650 TCL: Running for 0 steps PRESSURE: 57650 0 0 0 0 0 0 0 0 0 GPRESSURE: 57650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57650 251.8045 699.6331 374.9932 36.3259 -1766.4115 -287.7962 0.0000 0.0000 962.9097 271.4586 316.6012 284.1778 281.4445 316.6012 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57700 TCL: Running for 0 steps PRESSURE: 57700 0 0 0 0 0 0 0 0 0 GPRESSURE: 57700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57700 215.6011 734.7010 380.4690 40.8191 -1794.1014 -301.0307 0.0000 0.0000 961.0341 237.4923 315.9846 249.5854 249.3704 315.9846 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57750 TCL: Running for 0 steps PRESSURE: 57750 0 0 0 0 0 0 0 0 0 GPRESSURE: 57750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57750 253.3988 707.5994 378.0289 47.3843 -1790.8138 -295.0116 0.0000 0.0000 963.7470 264.3330 316.8766 276.4560 276.1423 316.8766 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57800 TCL: Running for 0 steps PRESSURE: 57800 0 0 0 0 0 0 0 0 0 GPRESSURE: 57800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57800 242.5163 722.0652 381.2301 44.0769 -1816.6131 -298.0015 0.0000 0.0000 962.4011 237.6750 316.4340 249.9911 248.9730 316.4340 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57850 TCL: Running for 0 steps PRESSURE: 57850 0 0 0 0 0 0 0 0 0 GPRESSURE: 57850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57850 219.1808 730.1836 391.2252 39.2122 -1796.5077 -285.2451 0.0000 0.0000 960.4950 258.5440 315.8073 270.4244 271.1038 315.8073 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57900 TCL: Running for 0 steps PRESSURE: 57900 0 0 0 0 0 0 0 0 0 GPRESSURE: 57900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57900 235.2890 706.8708 386.9695 41.1478 -1804.3660 -294.3664 0.0000 0.0000 956.8796 228.4244 314.6186 240.4496 240.5435 314.6186 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 57950 TCL: Running for 0 steps PRESSURE: 57950 0 0 0 0 0 0 0 0 0 GPRESSURE: 57950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 57950 256.2550 738.6789 390.0287 46.6663 -1829.9443 -289.2456 0.0000 0.0000 958.6953 271.1343 315.2156 283.5238 282.2457 315.2156 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58000 TCL: Running for 0 steps PRESSURE: 58000 0 0 0 0 0 0 0 0 0 GPRESSURE: 58000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58000 223.8417 692.7370 382.5141 37.6341 -1797.0577 -276.9183 0.0000 0.0000 965.7723 228.5231 317.5425 240.4019 241.1189 317.5425 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58050 TCL: Running for 0 steps PRESSURE: 58050 0 0 0 0 0 0 0 0 0 GPRESSURE: 58050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58050 244.7450 687.9800 380.0771 39.4473 -1844.5718 -288.0782 0.0000 0.0000 967.9846 187.5840 318.2699 199.3996 200.3088 318.2699 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58100 TCL: Running for 0 steps PRESSURE: 58100 0 0 0 0 0 0 0 0 0 GPRESSURE: 58100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58100 244.8460 668.6172 360.4097 33.4835 -1820.2026 -280.6950 0.0000 0.0000 956.6548 163.1136 314.5446 174.6384 176.5812 314.5446 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58150 TCL: Running for 0 steps PRESSURE: 58150 0 0 0 0 0 0 0 0 0 GPRESSURE: 58150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58150 245.4554 714.7256 376.3890 42.7134 -1830.8144 -295.6700 0.0000 0.0000 957.5529 210.3519 314.8399 222.1000 223.0840 314.8399 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58200 TCL: Running for 0 steps PRESSURE: 58200 0 0 0 0 0 0 0 0 0 GPRESSURE: 58200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58200 237.1408 728.5906 373.8945 37.4958 -1842.2687 -264.2516 0.0000 0.0000 964.7908 235.3923 317.2197 247.4243 247.2821 317.2197 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58250 TCL: Running for 0 steps PRESSURE: 58250 0 0 0 0 0 0 0 0 0 GPRESSURE: 58250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58250 255.3144 706.5207 380.3709 45.2790 -1836.2496 -288.7080 0.0000 0.0000 961.6565 224.1838 316.1892 236.1800 236.1811 316.1892 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58300 TCL: Running for 0 steps PRESSURE: 58300 0 0 0 0 0 0 0 0 0 GPRESSURE: 58300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58300 247.2800 703.6900 380.3610 37.3749 -1828.7695 -279.5925 0.0000 0.0000 962.8298 223.1737 316.5750 235.3556 234.6604 316.5750 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58350 TCL: Running for 0 steps PRESSURE: 58350 0 0 0 0 0 0 0 0 0 GPRESSURE: 58350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58350 229.9978 694.1557 390.6429 43.1472 -1794.2517 -278.4815 0.0000 0.0000 959.7833 244.9937 315.5733 257.4232 255.8427 315.5733 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58400 TCL: Running for 0 steps PRESSURE: 58400 0 0 0 0 0 0 0 0 0 GPRESSURE: 58400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58400 243.3584 707.0570 382.0521 46.4587 -1811.7708 -297.8094 0.0000 0.0000 955.7701 225.1160 314.2538 237.3602 236.5732 314.2538 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58450 TCL: Running for 0 steps PRESSURE: 58450 0 0 0 0 0 0 0 0 0 GPRESSURE: 58450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58450 224.8266 672.9211 375.1629 39.3595 -1808.9773 -314.4478 0.0000 0.0000 956.3406 145.1855 314.4413 156.5043 159.2369 314.4413 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58500 TCL: Running for 0 steps PRESSURE: 58500 0 0 0 0 0 0 0 0 0 GPRESSURE: 58500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58500 237.9390 692.7430 380.9393 41.0308 -1798.8797 -275.7915 0.0000 0.0000 953.4162 231.3970 313.4798 243.7819 242.3461 313.4798 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58550 TCL: Running for 0 steps PRESSURE: 58550 0 0 0 0 0 0 0 0 0 GPRESSURE: 58550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58550 237.8502 725.5066 381.8904 41.9869 -1782.4876 -302.4434 0.0000 0.0000 957.1483 259.4515 314.7069 271.8863 270.3529 314.7069 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58600 TCL: Running for 0 steps PRESSURE: 58600 0 0 0 0 0 0 0 0 0 GPRESSURE: 58600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58600 247.7341 709.0287 367.1709 40.9249 -1829.5947 -287.7854 0.0000 0.0000 957.6576 205.1361 314.8744 216.8512 218.1127 314.8744 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58650 TCL: Running for 0 steps PRESSURE: 58650 0 0 0 0 0 0 0 0 0 GPRESSURE: 58650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58650 225.2755 698.9905 373.0001 47.7243 -1810.0428 -272.1819 0.0000 0.0000 950.1235 212.8892 312.3972 224.5106 226.0446 312.3972 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58700 TCL: Running for 0 steps PRESSURE: 58700 0 0 0 0 0 0 0 0 0 GPRESSURE: 58700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58700 217.3833 725.5748 379.5334 37.1747 -1843.1471 -287.2082 0.0000 0.0000 955.6093 184.9203 314.2009 196.9757 196.7862 314.2009 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58750 TCL: Running for 0 steps PRESSURE: 58750 0 0 0 0 0 0 0 0 0 GPRESSURE: 58750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58750 234.1786 723.0777 385.4656 48.0259 -1825.2420 -313.4680 0.0000 0.0000 954.9738 207.0116 313.9919 219.5263 217.6264 313.9919 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58800 TCL: Running for 0 steps PRESSURE: 58800 0 0 0 0 0 0 0 0 0 GPRESSURE: 58800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58800 245.3103 702.2072 376.8658 32.4711 -1806.1668 -283.6048 0.0000 0.0000 958.7059 225.7887 315.2190 237.9572 237.4741 315.2190 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58850 TCL: Running for 0 steps PRESSURE: 58850 0 0 0 0 0 0 0 0 0 GPRESSURE: 58850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58850 238.8627 701.1559 386.9839 47.2855 -1816.3508 -326.6410 0.0000 0.0000 957.5989 188.8951 314.8551 200.6628 201.7128 314.8551 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58900 TCL: Running for 0 steps PRESSURE: 58900 0 0 0 0 0 0 0 0 0 GPRESSURE: 58900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58900 234.1636 735.3513 367.4978 39.1457 -1831.8777 -289.6443 0.0000 0.0000 958.9244 213.5608 315.2909 225.7605 225.1251 315.2909 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 58950 TCL: Running for 0 steps PRESSURE: 58950 0 0 0 0 0 0 0 0 0 GPRESSURE: 58950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 58950 224.2120 699.7937 397.1165 42.6648 -1787.8456 -300.8033 0.0000 0.0000 958.3637 233.5019 315.1065 245.0120 247.0022 315.1065 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59000 TCL: Running for 0 steps PRESSURE: 59000 0 0 0 0 0 0 0 0 0 GPRESSURE: 59000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59000 230.2805 711.6739 378.0928 37.0255 -1788.4968 -304.5655 0.0000 0.0000 958.2054 222.2158 315.0545 234.2185 234.2370 315.0545 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59050 TCL: Running for 0 steps PRESSURE: 59050 0 0 0 0 0 0 0 0 0 GPRESSURE: 59050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59050 246.1317 698.9535 364.1890 43.1084 -1822.3614 -280.9546 0.0000 0.0000 955.8447 204.9113 314.2783 217.0479 216.5632 314.2783 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59100 TCL: Running for 0 steps PRESSURE: 59100 0 0 0 0 0 0 0 0 0 GPRESSURE: 59100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59100 227.1604 679.0773 376.0791 38.5082 -1795.3460 -302.1135 0.0000 0.0000 956.9897 180.3553 314.6548 191.6067 194.4716 314.6548 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59150 TCL: Running for 0 steps PRESSURE: 59150 0 0 0 0 0 0 0 0 0 GPRESSURE: 59150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59150 237.3061 670.0549 364.3084 38.9227 -1755.1068 -284.1402 0.0000 0.0000 960.6298 231.9749 315.8516 244.0961 243.5202 315.8516 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59200 TCL: Running for 0 steps PRESSURE: 59200 0 0 0 0 0 0 0 0 0 GPRESSURE: 59200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59200 256.7741 720.2873 374.2984 35.4522 -1747.8310 -314.6173 0.0000 0.0000 958.0116 282.3754 314.9908 294.5505 293.8088 314.9908 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59250 TCL: Running for 0 steps PRESSURE: 59250 0 0 0 0 0 0 0 0 0 GPRESSURE: 59250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59250 227.4134 695.2156 377.4068 42.0523 -1768.6450 -310.3131 0.0000 0.0000 953.7261 216.8562 313.5817 228.5001 229.7965 313.5817 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59300 TCL: Running for 0 steps PRESSURE: 59300 0 0 0 0 0 0 0 0 0 GPRESSURE: 59300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59300 223.6697 703.7006 375.0654 43.7601 -1770.7841 -290.4546 0.0000 0.0000 957.0479 242.0050 314.6739 253.5011 255.2706 314.6739 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59350 TCL: Running for 0 steps PRESSURE: 59350 0 0 0 0 0 0 0 0 0 GPRESSURE: 59350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59350 239.0832 686.0154 380.9032 41.7649 -1779.2261 -285.2503 0.0000 0.0000 953.3742 236.6645 313.4660 248.4898 248.9147 313.4660 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59400 TCL: Running for 0 steps PRESSURE: 59400 0 0 0 0 0 0 0 0 0 GPRESSURE: 59400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59400 230.8508 666.8616 368.2116 42.2835 -1792.9720 -310.9445 0.0000 0.0000 957.0317 161.3228 314.6686 172.2161 176.1091 314.6686 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59450 TCL: Running for 0 steps PRESSURE: 59450 0 0 0 0 0 0 0 0 0 GPRESSURE: 59450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59450 222.0642 670.7918 374.0903 35.1529 -1810.8113 -288.7537 0.0000 0.0000 954.5767 157.1109 313.8614 168.5357 170.1924 313.8614 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59500 TCL: Running for 0 steps PRESSURE: 59500 0 0 0 0 0 0 0 0 0 GPRESSURE: 59500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59500 252.8147 694.6999 386.6913 37.1289 -1832.9257 -290.7036 0.0000 0.0000 957.7200 205.4254 314.8949 216.9956 218.0036 314.8949 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59550 TCL: Running for 0 steps PRESSURE: 59550 0 0 0 0 0 0 0 0 0 GPRESSURE: 59550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59550 240.4523 686.8158 390.3607 50.3009 -1798.5391 -310.3781 0.0000 0.0000 962.6751 221.6876 316.5241 233.5371 233.4345 316.5241 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59600 TCL: Running for 0 steps PRESSURE: 59600 0 0 0 0 0 0 0 0 0 GPRESSURE: 59600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59600 253.1542 684.1570 377.0111 44.7573 -1816.2137 -285.8485 0.0000 0.0000 959.3166 216.3340 315.4198 227.9969 228.6006 315.4198 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59650 TCL: Running for 0 steps PRESSURE: 59650 0 0 0 0 0 0 0 0 0 GPRESSURE: 59650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59650 226.8584 717.4401 369.9207 36.8740 -1840.0013 -287.2105 0.0000 0.0000 962.5628 186.4443 316.4872 197.9897 198.9960 316.4872 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59700 TCL: Running for 0 steps PRESSURE: 59700 0 0 0 0 0 0 0 0 0 GPRESSURE: 59700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59700 222.1273 683.2185 375.6433 47.5101 -1781.5376 -293.3205 0.0000 0.0000 960.1795 213.8206 315.7036 224.8396 227.7574 315.7036 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59750 TCL: Running for 0 steps PRESSURE: 59750 0 0 0 0 0 0 0 0 0 GPRESSURE: 59750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59750 237.1798 708.1571 381.0269 33.0043 -1794.6939 -279.8180 0.0000 0.0000 957.1808 242.0370 314.7176 254.4687 251.9065 314.7176 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59800 TCL: Running for 0 steps PRESSURE: 59800 0 0 0 0 0 0 0 0 0 GPRESSURE: 59800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59800 244.6410 673.3825 378.6453 48.0048 -1831.5974 -285.4555 0.0000 0.0000 956.8200 184.4407 314.5990 195.9406 197.0326 314.5990 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59850 TCL: Running for 0 steps PRESSURE: 59850 0 0 0 0 0 0 0 0 0 GPRESSURE: 59850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59850 231.4699 704.4874 373.6773 35.7018 -1783.1548 -310.2745 0.0000 0.0000 961.2812 213.1882 316.0658 224.4325 226.4148 316.0658 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59900 TCL: Running for 0 steps PRESSURE: 59900 0 0 0 0 0 0 0 0 0 GPRESSURE: 59900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59900 222.9821 744.5769 394.9200 38.8030 -1827.9645 -297.2066 0.0000 0.0000 959.4769 235.5878 315.4726 247.7217 246.2442 315.4726 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 59950 TCL: Running for 0 steps PRESSURE: 59950 0 0 0 0 0 0 0 0 0 GPRESSURE: 59950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 59950 242.6103 701.4278 385.6772 35.5718 -1806.4279 -267.5899 0.0000 0.0000 952.8717 244.1409 313.3008 256.3063 254.8030 313.3008 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60000 TCL: Running for 0 steps PRESSURE: 60000 0 0 0 0 0 0 0 0 0 GPRESSURE: 60000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60000 234.7087 747.7309 391.3224 41.9397 -1783.4490 -313.6588 0.0000 0.0000 958.3267 276.9206 315.0944 288.8211 288.4049 315.0944 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60050 TCL: Running for 0 steps PRESSURE: 60050 0 0 0 0 0 0 0 0 0 GPRESSURE: 60050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60050 237.2571 705.5065 383.0893 36.9164 -1807.2412 -291.4409 0.0000 0.0000 960.7302 224.8174 315.8846 236.9685 235.6387 315.8846 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60100 TCL: Running for 0 steps PRESSURE: 60100 0 0 0 0 0 0 0 0 0 GPRESSURE: 60100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60100 240.2839 710.1696 380.9891 40.3632 -1854.8075 -292.8915 0.0000 0.0000 954.9589 179.0656 313.9871 190.9338 190.7481 313.9871 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60150 TCL: Running for 0 steps PRESSURE: 60150 0 0 0 0 0 0 0 0 0 GPRESSURE: 60150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60150 228.9271 720.1386 382.0532 38.8007 -1832.0596 -279.3910 0.0000 0.0000 955.8992 214.3682 314.2962 226.4929 225.3569 314.2962 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60200 TCL: Running for 0 steps PRESSURE: 60200 0 0 0 0 0 0 0 0 0 GPRESSURE: 60200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60200 217.5936 702.4371 382.6922 44.8489 -1797.6827 -298.9456 0.0000 0.0000 952.0609 203.0046 313.0342 214.5594 215.6315 313.0342 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60250 TCL: Running for 0 steps PRESSURE: 60250 0 0 0 0 0 0 0 0 0 GPRESSURE: 60250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60250 234.6111 709.4430 382.3208 35.6842 -1802.4683 -295.0355 0.0000 0.0000 959.2609 223.8161 315.4015 235.5310 235.9356 315.4015 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60300 TCL: Running for 0 steps PRESSURE: 60300 0 0 0 0 0 0 0 0 0 GPRESSURE: 60300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60300 237.8352 703.6713 386.3439 34.3738 -1794.5705 -301.5352 0.0000 0.0000 958.8381 224.9567 315.2625 236.5628 237.3503 315.2625 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60350 TCL: Running for 0 steps PRESSURE: 60350 0 0 0 0 0 0 0 0 0 GPRESSURE: 60350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60350 239.8419 729.0049 368.9626 35.1712 -1790.3965 -308.3617 0.0000 0.0000 955.6027 229.8249 314.1987 241.4837 242.0244 314.1987 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60400 TCL: Running for 0 steps PRESSURE: 60400 0 0 0 0 0 0 0 0 0 GPRESSURE: 60400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60400 213.8199 719.7562 367.8003 40.2100 -1785.7041 -308.7111 0.0000 0.0000 957.0476 204.2187 314.6738 215.5204 217.3664 314.6738 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60450 TCL: Running for 0 steps PRESSURE: 60450 0 0 0 0 0 0 0 0 0 GPRESSURE: 60450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60450 219.6920 725.0728 372.5864 36.6925 -1803.4757 -291.5228 0.0000 0.0000 956.1219 215.1670 314.3694 227.1862 226.2261 314.3694 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60500 TCL: Running for 0 steps PRESSURE: 60500 0 0 0 0 0 0 0 0 0 GPRESSURE: 60500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60500 248.7355 726.3778 375.7621 44.1931 -1799.0131 -301.5636 0.0000 0.0000 958.2547 252.7465 315.0707 265.3540 262.2479 315.0707 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60550 TCL: Running for 0 steps PRESSURE: 60550 0 0 0 0 0 0 0 0 0 GPRESSURE: 60550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60550 241.2059 688.6699 391.8954 47.6342 -1793.6141 -302.9246 0.0000 0.0000 957.1008 229.9676 314.6913 241.6763 242.1348 314.6913 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60600 TCL: Running for 0 steps PRESSURE: 60600 0 0 0 0 0 0 0 0 0 GPRESSURE: 60600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60600 200.5106 729.9710 393.6145 38.0116 -1779.2645 -310.0630 0.0000 0.0000 958.3153 231.0955 315.0906 242.8175 243.1975 315.0906 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60650 TCL: Running for 0 steps PRESSURE: 60650 0 0 0 0 0 0 0 0 0 GPRESSURE: 60650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60650 228.2082 717.2902 394.1635 41.9476 -1806.2031 -287.3781 0.0000 0.0000 957.1020 245.1304 314.6917 257.7731 254.6767 314.6917 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60700 TCL: Running for 0 steps PRESSURE: 60700 0 0 0 0 0 0 0 0 0 GPRESSURE: 60700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60700 232.5384 747.9294 394.1115 44.9023 -1810.5078 -307.1278 0.0000 0.0000 956.7599 258.6058 314.5792 270.7481 269.7217 314.5792 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60750 TCL: Running for 0 steps PRESSURE: 60750 0 0 0 0 0 0 0 0 0 GPRESSURE: 60750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60750 254.2350 699.7510 372.0901 42.5279 -1812.4758 -279.6861 0.0000 0.0000 961.5881 238.0301 316.1667 250.5931 248.0532 316.1667 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60800 TCL: Running for 0 steps PRESSURE: 60800 0 0 0 0 0 0 0 0 0 GPRESSURE: 60800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60800 219.0143 700.2533 373.7916 35.2711 -1825.3676 -281.2747 0.0000 0.0000 958.0917 179.7797 315.0171 191.2821 192.8780 315.0171 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60850 TCL: Running for 0 steps PRESSURE: 60850 0 0 0 0 0 0 0 0 0 GPRESSURE: 60850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60850 240.5503 723.8565 390.5200 40.6240 -1830.3307 -281.3350 0.0000 0.0000 959.2604 243.1454 315.4014 255.5639 253.6249 315.4014 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60900 TCL: Running for 0 steps PRESSURE: 60900 0 0 0 0 0 0 0 0 0 GPRESSURE: 60900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60900 235.0372 725.1388 367.1773 43.8129 -1862.0626 -301.9667 0.0000 0.0000 959.0374 166.1742 315.3281 177.8810 178.7322 315.3281 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 60950 TCL: Running for 0 steps PRESSURE: 60950 0 0 0 0 0 0 0 0 0 GPRESSURE: 60950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 60950 250.0253 728.2708 380.6418 36.8840 -1820.3457 -292.1240 0.0000 0.0000 959.6983 243.0505 315.5453 255.2892 254.0922 315.5453 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61000 TCL: Running for 0 steps PRESSURE: 61000 0 0 0 0 0 0 0 0 0 GPRESSURE: 61000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61000 216.0331 695.6907 394.2399 37.1351 -1785.9371 -284.7924 0.0000 0.0000 958.0790 230.4484 315.0129 242.2814 242.6807 315.0129 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61050 TCL: Running for 0 steps PRESSURE: 61050 0 0 0 0 0 0 0 0 0 GPRESSURE: 61050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61050 230.2204 695.9071 370.5914 32.0811 -1776.0710 -280.4622 0.0000 0.0000 957.3837 229.6505 314.7843 241.5219 241.7526 314.7843 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61100 TCL: Running for 0 steps PRESSURE: 61100 0 0 0 0 0 0 0 0 0 GPRESSURE: 61100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61100 241.4940 718.4502 358.0099 41.4467 -1829.5288 -286.8849 0.0000 0.0000 957.4539 200.4410 314.8074 212.5882 211.7700 314.8074 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61150 TCL: Running for 0 steps PRESSURE: 61150 0 0 0 0 0 0 0 0 0 GPRESSURE: 61150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61150 262.3133 708.2992 371.6561 37.8097 -1804.2662 -290.3747 0.0000 0.0000 954.3552 239.7926 313.7886 252.1759 250.5233 313.7886 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61200 TCL: Running for 0 steps PRESSURE: 61200 0 0 0 0 0 0 0 0 0 GPRESSURE: 61200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61200 245.5988 734.6497 373.3964 43.3109 -1789.4572 -296.9107 0.0000 0.0000 954.3756 264.9636 313.7953 277.9488 274.1424 313.7953 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61250 TCL: Running for 0 steps PRESSURE: 61250 0 0 0 0 0 0 0 0 0 GPRESSURE: 61250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61250 257.5668 731.2606 368.1023 34.6630 -1815.8769 -285.0561 0.0000 0.0000 951.8153 242.4750 312.9534 254.9789 253.2154 312.9534 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61300 TCL: Running for 0 steps PRESSURE: 61300 0 0 0 0 0 0 0 0 0 GPRESSURE: 61300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61300 235.7172 685.5898 377.1496 41.1108 -1810.3769 -298.0520 0.0000 0.0000 961.1906 192.3291 316.0360 203.9246 205.6777 316.0360 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61350 TCL: Running for 0 steps PRESSURE: 61350 0 0 0 0 0 0 0 0 0 GPRESSURE: 61350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61350 231.2148 726.3214 369.1304 42.9426 -1822.9368 -308.6543 0.0000 0.0000 955.4098 193.4279 314.1353 205.3271 205.8317 314.1353 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61400 TCL: Running for 0 steps PRESSURE: 61400 0 0 0 0 0 0 0 0 0 GPRESSURE: 61400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61400 234.6980 679.8225 387.6245 48.9964 -1766.3712 -290.1378 0.0000 0.0000 957.1531 251.7855 314.7085 264.4349 262.0948 314.7085 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61450 TCL: Running for 0 steps PRESSURE: 61450 0 0 0 0 0 0 0 0 0 GPRESSURE: 61450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61450 262.5847 742.7121 383.3514 45.1808 -1807.9819 -312.3650 0.0000 0.0000 951.1541 264.6362 312.7360 277.3255 274.9820 312.7360 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61500 TCL: Running for 0 steps PRESSURE: 61500 0 0 0 0 0 0 0 0 0 GPRESSURE: 61500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61500 267.6198 745.6928 391.1188 39.8809 -1821.6275 -291.3519 0.0000 0.0000 958.7286 290.0615 315.2265 303.3156 299.0005 315.2265 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61550 TCL: Running for 0 steps PRESSURE: 61550 0 0 0 0 0 0 0 0 0 GPRESSURE: 61550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61550 245.4153 755.7896 383.7627 44.7195 -1805.9110 -301.6380 0.0000 0.0000 954.2906 276.4288 313.7673 288.8881 287.8235 313.7673 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61600 TCL: Running for 0 steps PRESSURE: 61600 0 0 0 0 0 0 0 0 0 GPRESSURE: 61600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61600 228.8118 739.9988 381.7182 45.9536 -1787.9797 -294.6250 0.0000 0.0000 955.3955 269.2731 314.1306 281.7053 280.8088 314.1306 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61650 TCL: Running for 0 steps PRESSURE: 61650 0 0 0 0 0 0 0 0 0 GPRESSURE: 61650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61650 234.3333 740.6840 385.4612 45.0821 -1815.9895 -315.5933 0.0000 0.0000 951.7168 225.6946 312.9211 237.7763 238.2499 312.9211 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61700 TCL: Running for 0 steps PRESSURE: 61700 0 0 0 0 0 0 0 0 0 GPRESSURE: 61700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61700 248.7423 749.2166 381.0892 38.0898 -1802.8401 -325.4324 0.0000 0.0000 950.1586 239.0240 312.4087 251.4780 250.5259 312.4087 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61750 TCL: Running for 0 steps PRESSURE: 61750 0 0 0 0 0 0 0 0 0 GPRESSURE: 61750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61750 227.3459 731.5208 389.6427 52.2379 -1801.8185 -297.2631 0.0000 0.0000 952.6593 254.3251 313.2310 266.7240 266.0381 313.2310 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61800 TCL: Running for 0 steps PRESSURE: 61800 0 0 0 0 0 0 0 0 0 GPRESSURE: 61800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61800 245.5189 740.6158 375.8083 41.8526 -1815.6364 -296.4353 0.0000 0.0000 953.8283 245.5522 313.6153 257.9764 257.2387 313.6153 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61850 TCL: Running for 0 steps PRESSURE: 61850 0 0 0 0 0 0 0 0 0 GPRESSURE: 61850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61850 219.4349 744.1602 396.6209 49.0324 -1795.2052 -299.2336 0.0000 0.0000 955.5504 270.3599 314.1815 282.9624 281.6021 314.1815 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61900 TCL: Running for 0 steps PRESSURE: 61900 0 0 0 0 0 0 0 0 0 GPRESSURE: 61900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61900 216.1028 712.7973 395.2095 48.4113 -1785.9464 -317.0131 0.0000 0.0000 947.4995 217.0609 311.5344 228.9015 230.4834 311.5344 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 61950 TCL: Running for 0 steps PRESSURE: 61950 0 0 0 0 0 0 0 0 0 GPRESSURE: 61950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 61950 233.9053 738.5316 380.0062 37.3712 -1793.5709 -297.7879 0.0000 0.0000 949.9386 248.3941 312.3364 260.8209 260.1056 312.3364 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62000 TCL: Running for 0 steps PRESSURE: 62000 0 0 0 0 0 0 0 0 0 GPRESSURE: 62000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62000 233.2076 742.1802 387.4226 42.3665 -1784.1823 -299.7937 0.0000 0.0000 955.9069 277.1078 314.2987 289.8847 287.9010 314.2987 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62050 TCL: Running for 0 steps PRESSURE: 62050 0 0 0 0 0 0 0 0 0 GPRESSURE: 62050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62050 237.2793 763.8819 380.7173 38.4526 -1826.2270 -306.4346 0.0000 0.0000 956.0585 243.7279 314.3486 255.5122 257.3751 314.3486 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62100 TCL: Running for 0 steps PRESSURE: 62100 0 0 0 0 0 0 0 0 0 GPRESSURE: 62100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62100 242.4332 757.9485 369.6305 36.4907 -1842.4898 -293.2386 0.0000 0.0000 950.7211 221.4955 312.5937 233.6193 234.0925 312.5937 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62150 TCL: Running for 0 steps PRESSURE: 62150 0 0 0 0 0 0 0 0 0 GPRESSURE: 62150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62150 240.8884 727.2032 388.2500 35.6947 -1791.5411 -300.2925 0.0000 0.0000 959.7177 259.9204 315.5517 272.2477 271.9284 315.5517 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62200 TCL: Running for 0 steps PRESSURE: 62200 0 0 0 0 0 0 0 0 0 GPRESSURE: 62200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62200 235.8992 722.7078 387.2320 43.7517 -1814.7508 -290.8807 0.0000 0.0000 960.8619 244.8210 315.9279 256.7210 258.0238 315.9279 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62250 TCL: Running for 0 steps PRESSURE: 62250 0 0 0 0 0 0 0 0 0 GPRESSURE: 62250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62250 262.0693 741.6579 384.4839 42.8141 -1809.8605 -304.5137 0.0000 0.0000 956.8487 273.4997 314.6084 286.2987 284.1489 314.6084 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62300 TCL: Running for 0 steps PRESSURE: 62300 0 0 0 0 0 0 0 0 0 GPRESSURE: 62300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62300 243.0840 739.6554 399.5010 50.9088 -1827.1751 -273.1097 0.0000 0.0000 956.1663 289.0306 314.3841 301.2677 301.3594 314.3841 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62350 TCL: Running for 0 steps PRESSURE: 62350 0 0 0 0 0 0 0 0 0 GPRESSURE: 62350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62350 247.4847 721.7890 375.1647 39.4543 -1787.2098 -293.5065 0.0000 0.0000 958.2399 261.4162 315.0658 273.9546 272.9108 315.0658 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62400 TCL: Running for 0 steps PRESSURE: 62400 0 0 0 0 0 0 0 0 0 GPRESSURE: 62400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62400 255.8745 716.7643 384.7633 41.0145 -1849.0916 -291.2185 0.0000 0.0000 957.7781 215.8845 314.9140 228.1531 228.1862 314.9140 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62450 TCL: Running for 0 steps PRESSURE: 62450 0 0 0 0 0 0 0 0 0 GPRESSURE: 62450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62450 245.7226 711.6488 371.0329 39.6494 -1802.7439 -280.4690 0.0000 0.0000 956.6641 241.5049 314.5477 253.8075 253.7112 314.5477 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62500 TCL: Running for 0 steps PRESSURE: 62500 0 0 0 0 0 0 0 0 0 GPRESSURE: 62500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62500 260.2236 683.6453 395.6395 34.6263 -1796.7648 -309.3888 0.0000 0.0000 956.7863 224.7673 314.5879 236.8071 237.7019 314.5879 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62550 TCL: Running for 0 steps PRESSURE: 62550 0 0 0 0 0 0 0 0 0 GPRESSURE: 62550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62550 233.4438 679.7619 375.5685 41.9176 -1822.5706 -292.4151 0.0000 0.0000 960.9473 176.6534 315.9560 187.6163 192.4936 315.9560 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62600 TCL: Running for 0 steps PRESSURE: 62600 0 0 0 0 0 0 0 0 0 GPRESSURE: 62600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62600 226.2496 711.1972 378.6842 41.9390 -1800.8329 -263.3675 0.0000 0.0000 952.2702 246.1400 313.1030 257.8880 259.5162 313.1030 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62650 TCL: Running for 0 steps PRESSURE: 62650 0 0 0 0 0 0 0 0 0 GPRESSURE: 62650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62650 229.2494 698.2834 366.1493 38.7205 -1820.1506 -275.6716 0.0000 0.0000 954.9868 191.5672 313.9962 203.1756 205.2260 313.9962 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62700 TCL: Running for 0 steps PRESSURE: 62700 0 0 0 0 0 0 0 0 0 GPRESSURE: 62700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62700 223.6245 755.3843 383.8749 45.1546 -1815.4726 -308.3679 0.0000 0.0000 959.4060 243.6037 315.4492 255.3465 256.7645 315.4492 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62750 TCL: Running for 0 steps PRESSURE: 62750 0 0 0 0 0 0 0 0 0 GPRESSURE: 62750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62750 252.2368 711.2773 372.9523 34.1953 -1820.5237 -283.8169 0.0000 0.0000 958.1510 224.4721 315.0366 236.7220 236.1497 315.0366 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62800 TCL: Running for 0 steps PRESSURE: 62800 0 0 0 0 0 0 0 0 0 GPRESSURE: 62800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62800 250.4546 742.7592 370.0192 41.4909 -1837.9058 -287.7440 0.0000 0.0000 957.3189 236.3930 314.7630 249.2002 246.5740 314.7630 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62850 TCL: Running for 0 steps PRESSURE: 62850 0 0 0 0 0 0 0 0 0 GPRESSURE: 62850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62850 237.3880 725.1097 369.2973 38.2690 -1815.2835 -309.5526 0.0000 0.0000 958.7508 203.9786 315.2338 216.2474 215.8042 315.2338 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62900 TCL: Running for 0 steps PRESSURE: 62900 0 0 0 0 0 0 0 0 0 GPRESSURE: 62900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62900 233.0467 707.5353 377.0336 38.9042 -1806.1926 -309.5929 0.0000 0.0000 960.5970 201.3313 315.8408 213.2341 214.1913 315.8408 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 62950 TCL: Running for 0 steps PRESSURE: 62950 0 0 0 0 0 0 0 0 0 GPRESSURE: 62950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 62950 244.0544 691.3768 372.6525 34.1430 -1826.9963 -305.1623 0.0000 0.0000 956.6104 166.6784 314.5300 178.4069 179.9577 314.5300 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63000 TCL: Running for 0 steps PRESSURE: 63000 0 0 0 0 0 0 0 0 0 GPRESSURE: 63000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63000 253.8821 729.9773 377.3641 37.9173 -1819.5480 -287.9254 0.0000 0.0000 960.5537 252.2211 315.8266 264.0537 265.1172 315.8266 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63050 TCL: Running for 0 steps PRESSURE: 63050 0 0 0 0 0 0 0 0 0 GPRESSURE: 63050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63050 237.4404 675.6034 388.7651 40.8287 -1781.6862 -305.0370 0.0000 0.0000 960.4711 216.3855 315.7994 227.9405 229.9786 315.7994 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63100 TCL: Running for 0 steps PRESSURE: 63100 0 0 0 0 0 0 0 0 0 GPRESSURE: 63100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63100 237.4273 681.2692 380.6728 40.7372 -1803.4454 -288.9372 0.0000 0.0000 956.4449 204.1689 314.4757 216.0412 216.7618 314.4757 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63150 TCL: Running for 0 steps PRESSURE: 63150 0 0 0 0 0 0 0 0 0 GPRESSURE: 63150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63150 244.8490 729.9343 390.0618 46.8171 -1860.7098 -293.3379 0.0000 0.0000 959.6759 217.2904 315.5380 229.6531 228.4899 315.5380 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63200 TCL: Running for 0 steps PRESSURE: 63200 0 0 0 0 0 0 0 0 0 GPRESSURE: 63200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63200 241.2032 729.4142 390.1559 45.5221 -1827.5005 -309.7049 0.0000 0.0000 960.6224 229.7123 315.8492 242.5747 239.6105 315.8492 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63250 TCL: Running for 0 steps PRESSURE: 63250 0 0 0 0 0 0 0 0 0 GPRESSURE: 63250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63250 257.9037 711.1623 380.8226 37.2604 -1815.1039 -293.2331 0.0000 0.0000 965.4067 244.2188 317.4222 256.5586 255.7391 317.4222 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63300 TCL: Running for 0 steps PRESSURE: 63300 0 0 0 0 0 0 0 0 0 GPRESSURE: 63300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63300 243.5322 670.9357 390.9499 40.6517 -1836.9716 -280.2168 0.0000 0.0000 961.4323 190.3132 316.1155 201.9321 203.8673 316.1155 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63350 TCL: Running for 0 steps PRESSURE: 63350 0 0 0 0 0 0 0 0 0 GPRESSURE: 63350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63350 245.0449 723.0349 377.7066 34.9171 -1814.1278 -286.3907 0.0000 0.0000 956.6258 236.8109 314.5351 249.3368 247.7497 314.5351 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63400 TCL: Running for 0 steps PRESSURE: 63400 0 0 0 0 0 0 0 0 0 GPRESSURE: 63400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63400 242.9832 737.6012 373.8868 38.8555 -1789.5299 -286.7635 0.0000 0.0000 951.6111 268.6443 312.8863 281.5036 278.7654 312.8863 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63450 TCL: Running for 0 steps PRESSURE: 63450 0 0 0 0 0 0 0 0 0 GPRESSURE: 63450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63450 259.1654 712.1701 389.1237 45.4127 -1828.8631 -280.2564 0.0000 0.0000 958.2913 255.0434 315.0827 267.4783 266.5031 315.0827 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63500 TCL: Running for 0 steps PRESSURE: 63500 0 0 0 0 0 0 0 0 0 GPRESSURE: 63500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63500 234.4649 734.9153 392.0979 44.6160 -1802.1791 -311.4481 0.0000 0.0000 958.8487 251.3155 315.2660 263.2442 264.2280 315.2660 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63550 TCL: Running for 0 steps PRESSURE: 63550 0 0 0 0 0 0 0 0 0 GPRESSURE: 63550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63550 206.0169 730.3250 390.2982 43.9627 -1812.5131 -272.4236 0.0000 0.0000 955.1707 240.8367 314.0567 252.5838 254.1872 314.0567 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63600 TCL: Running for 0 steps PRESSURE: 63600 0 0 0 0 0 0 0 0 0 GPRESSURE: 63600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63600 252.2519 715.7671 386.9831 41.8444 -1766.2927 -307.7652 0.0000 0.0000 956.0896 278.8782 314.3588 291.0707 290.9036 314.3588 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63650 TCL: Running for 0 steps PRESSURE: 63650 0 0 0 0 0 0 0 0 0 GPRESSURE: 63650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63650 262.2860 686.6659 383.7537 41.4819 -1787.0587 -278.8099 0.0000 0.0000 958.2905 266.6093 315.0825 278.5041 279.4639 315.0825 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63700 TCL: Running for 0 steps PRESSURE: 63700 0 0 0 0 0 0 0 0 0 GPRESSURE: 63700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63700 222.7580 736.2063 392.9801 39.0756 -1754.4281 -302.8401 0.0000 0.0000 953.9873 287.7392 313.6676 299.7689 300.1627 313.6676 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63750 TCL: Running for 0 steps PRESSURE: 63750 0 0 0 0 0 0 0 0 0 GPRESSURE: 63750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63750 240.8186 702.7165 387.7700 54.8809 -1762.9454 -307.5367 0.0000 0.0000 960.9703 276.6741 315.9636 288.8259 288.7374 315.9636 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63800 TCL: Running for 0 steps PRESSURE: 63800 0 0 0 0 0 0 0 0 0 GPRESSURE: 63800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63800 240.4331 673.8612 384.3009 41.3534 -1797.0341 -308.4805 0.0000 0.0000 956.3471 190.7811 314.4435 201.9085 205.6668 314.4435 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63850 TCL: Running for 0 steps PRESSURE: 63850 0 0 0 0 0 0 0 0 0 GPRESSURE: 63850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63850 237.3245 693.9883 385.6057 38.9567 -1797.0324 -293.3462 0.0000 0.0000 961.1958 226.6925 316.0377 238.6165 239.1527 316.0377 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63900 TCL: Running for 0 steps PRESSURE: 63900 0 0 0 0 0 0 0 0 0 GPRESSURE: 63900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63900 253.4152 678.3567 394.3031 39.8679 -1792.2212 -282.9312 0.0000 0.0000 955.1630 245.9534 314.0541 257.9781 258.1033 314.0541 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 63950 TCL: Running for 0 steps PRESSURE: 63950 0 0 0 0 0 0 0 0 0 GPRESSURE: 63950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 63950 234.8059 714.2780 389.2234 40.6988 -1781.1292 -268.2867 0.0000 0.0000 955.5746 285.1648 314.1895 297.8258 295.5571 314.1895 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64000 TCL: Running for 0 steps PRESSURE: 64000 0 0 0 0 0 0 0 0 0 GPRESSURE: 64000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64000 235.8702 684.2910 388.9925 46.8617 -1773.6009 -295.4618 0.0000 0.0000 957.2001 244.1529 314.7239 255.7420 257.6345 314.7239 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64050 TCL: Running for 0 steps PRESSURE: 64050 0 0 0 0 0 0 0 0 0 GPRESSURE: 64050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64050 228.9343 731.4466 387.5945 37.9070 -1759.3524 -324.3028 0.0000 0.0000 952.2327 254.4598 313.0907 266.4072 266.8379 313.0907 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64100 TCL: Running for 0 steps PRESSURE: 64100 0 0 0 0 0 0 0 0 0 GPRESSURE: 64100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64100 230.2055 680.7153 366.9375 38.6440 -1800.6594 -276.1863 0.0000 0.0000 959.7183 199.3749 315.5519 211.1612 212.1690 315.5519 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64150 TCL: Running for 0 steps PRESSURE: 64150 0 0 0 0 0 0 0 0 0 GPRESSURE: 64150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64150 244.3174 702.2947 372.0517 43.2049 -1805.7018 -283.4447 0.0000 0.0000 955.7978 228.5200 314.2629 240.9344 239.5240 314.2629 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64200 TCL: Running for 0 steps PRESSURE: 64200 0 0 0 0 0 0 0 0 0 GPRESSURE: 64200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64200 236.5959 706.3881 380.7468 41.2510 -1808.6889 -294.0674 0.0000 0.0000 957.8524 220.0780 314.9384 231.7377 233.2452 314.9384 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64250 TCL: Running for 0 steps PRESSURE: 64250 0 0 0 0 0 0 0 0 0 GPRESSURE: 64250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64250 242.5048 726.9254 362.4441 43.1033 -1853.5289 -291.1853 0.0000 0.0000 955.4536 185.7169 314.1497 197.2870 199.0367 314.1497 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64300 TCL: Running for 0 steps PRESSURE: 64300 0 0 0 0 0 0 0 0 0 GPRESSURE: 64300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64300 238.7812 684.3960 384.5692 44.5160 -1816.8355 -293.2942 0.0000 0.0000 954.5228 196.6556 313.8437 208.1415 210.0975 313.8437 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64350 TCL: Running for 0 steps PRESSURE: 64350 0 0 0 0 0 0 0 0 0 GPRESSURE: 64350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64350 229.9030 657.4226 373.3073 48.3579 -1764.8734 -303.3110 0.0000 0.0000 955.1015 195.9078 314.0339 207.2272 209.6850 314.0339 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64400 TCL: Running for 0 steps PRESSURE: 64400 0 0 0 0 0 0 0 0 0 GPRESSURE: 64400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64400 238.5708 685.4738 383.0595 42.7073 -1771.8336 -283.4310 0.0000 0.0000 959.8080 254.3548 315.5814 265.9915 267.1061 315.5814 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64450 TCL: Running for 0 steps PRESSURE: 64450 0 0 0 0 0 0 0 0 0 GPRESSURE: 64450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64450 225.0808 698.1266 380.3831 40.2930 -1815.8391 -288.4822 0.0000 0.0000 958.0816 197.6437 315.0138 209.2584 210.3856 315.0138 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64500 TCL: Running for 0 steps PRESSURE: 64500 0 0 0 0 0 0 0 0 0 GPRESSURE: 64500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64500 222.8331 692.1972 384.3027 42.7824 -1798.0280 -282.4106 0.0000 0.0000 955.0524 216.7292 314.0178 228.1666 229.8884 314.0178 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64550 TCL: Running for 0 steps PRESSURE: 64550 0 0 0 0 0 0 0 0 0 GPRESSURE: 64550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64550 249.5383 715.2863 368.8926 35.5560 -1780.1163 -286.9022 0.0000 0.0000 960.4561 262.7108 315.7945 274.6432 274.4013 315.7945 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64600 TCL: Running for 0 steps PRESSURE: 64600 0 0 0 0 0 0 0 0 0 GPRESSURE: 64600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64600 249.8285 684.8934 389.4449 43.4848 -1821.2032 -290.5231 0.0000 0.0000 950.1017 206.0270 312.3900 217.8572 218.0138 312.3900 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64650 TCL: Running for 0 steps PRESSURE: 64650 0 0 0 0 0 0 0 0 0 GPRESSURE: 64650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64650 235.5795 688.3519 376.9644 44.8474 -1805.7842 -297.8511 0.0000 0.0000 950.6542 192.7622 312.5717 204.2995 205.5442 312.5717 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64700 TCL: Running for 0 steps PRESSURE: 64700 0 0 0 0 0 0 0 0 0 GPRESSURE: 64700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64700 234.5891 698.3536 387.4886 49.0721 -1815.4972 -305.1581 0.0000 0.0000 952.2509 201.0991 313.0967 212.3045 214.7162 313.0967 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64750 TCL: Running for 0 steps PRESSURE: 64750 0 0 0 0 0 0 0 0 0 GPRESSURE: 64750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64750 217.9318 708.0901 378.4494 42.1103 -1806.5261 -288.4470 0.0000 0.0000 955.6476 207.2562 314.2135 218.6643 220.1652 314.2135 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64800 TCL: Running for 0 steps PRESSURE: 64800 0 0 0 0 0 0 0 0 0 GPRESSURE: 64800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64800 234.7548 728.1094 372.5352 41.0623 -1809.0691 -293.8146 0.0000 0.0000 956.5266 230.1046 314.5025 242.4034 240.4704 314.5025 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64850 TCL: Running for 0 steps PRESSURE: 64850 0 0 0 0 0 0 0 0 0 GPRESSURE: 64850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64850 210.5526 702.6897 374.5116 38.9422 -1814.8952 -285.7722 0.0000 0.0000 946.3277 172.3565 311.1491 184.1927 184.1154 311.1491 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64900 TCL: Running for 0 steps PRESSURE: 64900 0 0 0 0 0 0 0 0 0 GPRESSURE: 64900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64900 270.1586 685.8176 384.5263 45.4275 -1815.0810 -287.9450 0.0000 0.0000 958.1839 241.0879 315.0474 253.5723 251.0689 315.0474 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 64950 TCL: Running for 0 steps PRESSURE: 64950 0 0 0 0 0 0 0 0 0 GPRESSURE: 64950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 64950 213.0109 688.6769 393.4132 38.1486 -1771.0461 -280.7583 0.0000 0.0000 949.8629 231.3081 312.3115 243.1451 243.2259 312.3115 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65000 TCL: Running for 0 steps PRESSURE: 65000 0 0 0 0 0 0 0 0 0 GPRESSURE: 65000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65000 214.9227 705.5519 375.0282 38.3812 -1779.8229 -294.7237 0.0000 0.0000 951.7703 211.1078 312.9386 222.8377 223.3149 312.9386 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65050 TCL: Running for 0 steps PRESSURE: 65050 0 0 0 0 0 0 0 0 0 GPRESSURE: 65050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65050 234.2854 723.5746 371.7511 39.4783 -1816.1881 -297.7617 0.0000 0.0000 953.0566 208.1963 313.3616 220.3646 219.1682 313.3616 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65100 TCL: Running for 0 steps PRESSURE: 65100 0 0 0 0 0 0 0 0 0 GPRESSURE: 65100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65100 260.2144 720.6773 382.4679 35.2281 -1829.3507 -283.3619 0.0000 0.0000 945.3494 231.2245 310.8275 243.9936 240.6190 310.8275 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65150 TCL: Running for 0 steps PRESSURE: 65150 0 0 0 0 0 0 0 0 0 GPRESSURE: 65150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65150 228.8555 715.9683 372.2987 36.9465 -1807.7364 -276.0250 0.0000 0.0000 948.8911 219.1989 311.9920 231.4731 230.1651 311.9920 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65200 TCL: Running for 0 steps PRESSURE: 65200 0 0 0 0 0 0 0 0 0 GPRESSURE: 65200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65200 239.5824 700.0627 384.9034 37.7040 -1830.3109 -294.1747 0.0000 0.0000 950.6859 188.4528 312.5821 200.1023 201.2189 312.5821 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65250 TCL: Running for 0 steps PRESSURE: 65250 0 0 0 0 0 0 0 0 0 GPRESSURE: 65250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65250 239.3799 697.0108 362.4142 36.8788 -1821.8808 -261.5215 0.0000 0.0000 955.2833 207.5647 314.0937 219.5270 219.4008 314.0937 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65300 TCL: Running for 0 steps PRESSURE: 65300 0 0 0 0 0 0 0 0 0 GPRESSURE: 65300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65300 221.4610 705.5680 393.3794 40.7399 -1808.7535 -290.4177 0.0000 0.0000 957.3961 219.3733 314.7884 230.7374 232.8621 314.7884 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65350 TCL: Running for 0 steps PRESSURE: 65350 0 0 0 0 0 0 0 0 0 GPRESSURE: 65350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65350 229.7202 705.0703 397.0401 44.4449 -1820.4294 -286.2933 0.0000 0.0000 953.5977 223.1506 313.5395 235.0341 235.0782 313.5395 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65400 TCL: Running for 0 steps PRESSURE: 65400 0 0 0 0 0 0 0 0 0 GPRESSURE: 65400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65400 235.4051 687.1992 390.8662 35.4810 -1817.5361 -289.9477 0.0000 0.0000 962.3455 203.8132 316.4157 215.5383 216.1739 316.4157 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65450 TCL: Running for 0 steps PRESSURE: 65450 0 0 0 0 0 0 0 0 0 GPRESSURE: 65450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65450 254.3804 704.8960 379.4036 40.7752 -1805.2654 -297.9711 0.0000 0.0000 959.4710 235.6897 315.4706 247.2365 248.5012 315.4706 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65500 TCL: Running for 0 steps PRESSURE: 65500 0 0 0 0 0 0 0 0 0 GPRESSURE: 65500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65500 248.5472 714.9193 392.6395 46.3884 -1800.5260 -300.3210 0.0000 0.0000 958.4793 260.1266 315.1446 272.7069 270.0166 315.1446 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65550 TCL: Running for 0 steps PRESSURE: 65550 0 0 0 0 0 0 0 0 0 GPRESSURE: 65550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65550 240.5947 698.2593 400.8140 44.5773 -1842.0805 -283.5440 0.0000 0.0000 956.7610 215.3817 314.5796 227.2658 227.3547 314.5796 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65600 TCL: Running for 0 steps PRESSURE: 65600 0 0 0 0 0 0 0 0 0 GPRESSURE: 65600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65600 220.5913 731.9826 381.7977 45.7902 -1794.7848 -302.0252 0.0000 0.0000 957.7294 241.0813 314.8980 252.6651 253.8743 314.8980 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65650 TCL: Running for 0 steps PRESSURE: 65650 0 0 0 0 0 0 0 0 0 GPRESSURE: 65650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65650 220.0676 704.2782 391.4821 42.2148 -1807.2637 -281.7563 0.0000 0.0000 957.7961 226.8188 314.9199 238.6770 238.7817 314.9199 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65700 TCL: Running for 0 steps PRESSURE: 65700 0 0 0 0 0 0 0 0 0 GPRESSURE: 65700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65700 224.7415 703.8712 384.8465 43.4867 -1810.6147 -301.6928 0.0000 0.0000 959.2969 203.9353 315.4134 215.4481 216.8414 315.4134 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65750 TCL: Running for 0 steps PRESSURE: 65750 0 0 0 0 0 0 0 0 0 GPRESSURE: 65750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65750 224.9864 751.5397 383.8501 43.9710 -1804.6238 -297.4611 0.0000 0.0000 955.6178 257.8801 314.2037 270.2717 268.2825 314.2037 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65800 TCL: Running for 0 steps PRESSURE: 65800 0 0 0 0 0 0 0 0 0 GPRESSURE: 65800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65800 232.9020 709.4832 386.4953 41.2365 -1774.0892 -300.4551 0.0000 0.0000 955.4292 251.0019 314.1417 262.6994 263.4373 314.1417 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65850 TCL: Running for 0 steps PRESSURE: 65850 0 0 0 0 0 0 0 0 0 GPRESSURE: 65850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65850 239.3620 694.3422 400.2972 35.7036 -1785.8681 -297.8920 0.0000 0.0000 957.9947 243.9397 314.9852 255.9355 255.5089 314.9852 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65900 TCL: Running for 0 steps PRESSURE: 65900 0 0 0 0 0 0 0 0 0 GPRESSURE: 65900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65900 227.6026 727.9375 401.6657 46.7395 -1796.5888 -285.9917 0.0000 0.0000 955.9230 277.2877 314.3040 289.4064 288.5455 314.3040 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 65950 TCL: Running for 0 steps PRESSURE: 65950 0 0 0 0 0 0 0 0 0 GPRESSURE: 65950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 65950 233.1518 703.5516 391.3185 45.9634 -1800.6096 -284.7418 0.0000 0.0000 961.8785 250.5125 316.2622 262.2158 262.9665 316.2622 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66000 TCL: Running for 0 steps PRESSURE: 66000 0 0 0 0 0 0 0 0 0 GPRESSURE: 66000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66000 217.3966 692.8727 393.6580 42.3278 -1808.6570 -299.6779 0.0000 0.0000 965.1651 203.0854 317.3428 214.6303 215.9281 317.3428 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66050 TCL: Running for 0 steps PRESSURE: 66050 0 0 0 0 0 0 0 0 0 GPRESSURE: 66050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66050 237.9576 701.8210 383.8444 37.3969 -1807.7619 -312.8447 0.0000 0.0000 959.2688 199.6821 315.4041 210.9229 213.2799 315.4041 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66100 TCL: Running for 0 steps PRESSURE: 66100 0 0 0 0 0 0 0 0 0 GPRESSURE: 66100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66100 236.6625 706.1281 388.4471 38.0820 -1801.0455 -311.0680 0.0000 0.0000 960.7859 217.9921 315.9029 229.4863 230.7456 315.9029 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66150 TCL: Running for 0 steps PRESSURE: 66150 0 0 0 0 0 0 0 0 0 GPRESSURE: 66150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66150 205.4779 690.0541 394.1689 38.1502 -1768.2917 -308.6966 0.0000 0.0000 958.0804 208.9433 315.0134 219.8431 223.2528 315.0134 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66200 TCL: Running for 0 steps PRESSURE: 66200 0 0 0 0 0 0 0 0 0 GPRESSURE: 66200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66200 249.9242 689.3847 397.5329 40.8865 -1809.5949 -304.6140 0.0000 0.0000 960.4534 223.9727 315.7936 235.3090 236.8686 315.7936 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66250 TCL: Running for 0 steps PRESSURE: 66250 0 0 0 0 0 0 0 0 0 GPRESSURE: 66250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66250 227.5708 721.5559 383.9294 42.6741 -1800.9680 -297.9126 0.0000 0.0000 963.0259 239.8755 316.6395 251.4582 251.9963 316.6395 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66300 TCL: Running for 0 steps PRESSURE: 66300 0 0 0 0 0 0 0 0 0 GPRESSURE: 66300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66300 254.2565 735.8142 393.7286 34.1206 -1790.6779 -289.4349 0.0000 0.0000 959.6496 297.4567 315.5293 309.3802 308.6068 315.5293 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66350 TCL: Running for 0 steps PRESSURE: 66350 0 0 0 0 0 0 0 0 0 GPRESSURE: 66350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66350 235.8739 688.5512 375.8253 41.6144 -1745.7142 -285.9113 0.0000 0.0000 960.2448 270.4841 315.7250 282.4998 281.4292 315.7250 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66400 TCL: Running for 0 steps PRESSURE: 66400 0 0 0 0 0 0 0 0 0 GPRESSURE: 66400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66400 228.0735 713.2868 387.7000 38.2958 -1758.4674 -294.1949 0.0000 0.0000 960.0333 274.7271 315.6555 286.1658 287.3257 315.6555 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66450 TCL: Running for 0 steps PRESSURE: 66450 0 0 0 0 0 0 0 0 0 GPRESSURE: 66450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66450 229.4370 721.8214 390.3094 42.5941 -1761.9597 -276.9068 0.0000 0.0000 955.0273 300.3226 314.0095 312.0687 312.0034 314.0095 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66500 TCL: Running for 0 steps PRESSURE: 66500 0 0 0 0 0 0 0 0 0 GPRESSURE: 66500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66500 248.7140 713.7051 392.0082 41.8038 -1787.7116 -292.3296 0.0000 0.0000 949.6681 265.8581 312.2475 278.0656 276.2738 312.2475 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66550 TCL: Running for 0 steps PRESSURE: 66550 0 0 0 0 0 0 0 0 0 GPRESSURE: 66550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66550 232.1631 688.3520 392.9572 39.1157 -1771.5635 -283.0653 0.0000 0.0000 949.5388 247.4979 312.2049 259.1783 259.4756 312.2049 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66600 TCL: Running for 0 steps PRESSURE: 66600 0 0 0 0 0 0 0 0 0 GPRESSURE: 66600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66600 255.7084 694.5621 389.0206 45.4338 -1774.7978 -280.5505 0.0000 0.0000 954.8229 284.1995 313.9423 296.3380 294.8986 313.9423 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66650 TCL: Running for 0 steps PRESSURE: 66650 0 0 0 0 0 0 0 0 0 GPRESSURE: 66650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66650 223.2845 720.1656 393.7693 47.1150 -1798.8964 -285.8867 0.0000 0.0000 958.7974 258.3488 315.2491 270.4019 269.3725 315.2491 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66700 TCL: Running for 0 steps PRESSURE: 66700 0 0 0 0 0 0 0 0 0 GPRESSURE: 66700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66700 232.7753 708.9478 373.2249 41.2146 -1773.4753 -293.8253 0.0000 0.0000 959.5613 248.4232 315.5003 260.3260 259.9249 315.5003 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66750 TCL: Running for 0 steps PRESSURE: 66750 0 0 0 0 0 0 0 0 0 GPRESSURE: 66750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66750 230.1394 686.0528 392.3492 42.5654 -1750.8609 -309.0035 0.0000 0.0000 952.9791 244.2216 313.3361 255.3978 257.7462 313.3361 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66800 TCL: Running for 0 steps PRESSURE: 66800 0 0 0 0 0 0 0 0 0 GPRESSURE: 66800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66800 222.6159 722.3226 395.7871 41.4982 -1739.0689 -286.8751 0.0000 0.0000 957.0490 313.3288 314.6743 325.5941 323.7115 314.6743 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66850 TCL: Running for 0 steps PRESSURE: 66850 0 0 0 0 0 0 0 0 0 GPRESSURE: 66850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66850 217.3957 730.7793 395.0128 41.0148 -1772.2053 -294.3881 0.0000 0.0000 961.5525 279.1617 316.1550 291.3926 289.7570 316.1550 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66900 TCL: Running for 0 steps PRESSURE: 66900 0 0 0 0 0 0 0 0 0 GPRESSURE: 66900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66900 237.9809 686.4747 394.1053 33.3966 -1744.7240 -310.6526 0.0000 0.0000 962.5290 259.1099 316.4761 270.9678 270.8331 316.4761 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 66950 TCL: Running for 0 steps PRESSURE: 66950 0 0 0 0 0 0 0 0 0 GPRESSURE: 66950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 66950 228.9581 716.8482 382.5525 47.3388 -1793.5529 -298.1508 0.0000 0.0000 955.6416 239.6356 314.2115 251.7454 250.6744 314.2115 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67000 TCL: Running for 0 steps PRESSURE: 67000 0 0 0 0 0 0 0 0 0 GPRESSURE: 67000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67000 241.3810 691.0459 382.0220 41.7448 -1750.0491 -295.1359 0.0000 0.0000 956.3896 267.3983 314.4575 279.3117 279.0442 314.4575 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67050 TCL: Running for 0 steps PRESSURE: 67050 0 0 0 0 0 0 0 0 0 GPRESSURE: 67050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67050 252.5404 709.5549 390.7621 41.8384 -1782.9812 -303.9520 0.0000 0.0000 955.9731 263.7356 314.3205 276.1187 274.1067 314.3205 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67100 TCL: Running for 0 steps PRESSURE: 67100 0 0 0 0 0 0 0 0 0 GPRESSURE: 67100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67100 239.3709 705.8875 398.8837 38.7800 -1765.7585 -310.1343 0.0000 0.0000 963.2761 270.3054 316.7217 282.4776 281.3821 316.7217 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67150 TCL: Running for 0 steps PRESSURE: 67150 0 0 0 0 0 0 0 0 0 GPRESSURE: 67150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67150 258.8449 721.6829 399.7158 42.8018 -1797.6191 -294.3185 0.0000 0.0000 959.2461 290.3537 315.3967 302.7797 300.8010 315.3967 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67200 TCL: Running for 0 steps PRESSURE: 67200 0 0 0 0 0 0 0 0 0 GPRESSURE: 67200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67200 238.9058 674.0951 390.8183 39.6355 -1757.8018 -283.5847 0.0000 0.0000 956.4787 258.5469 314.4868 270.7281 269.7913 314.4868 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67250 TCL: Running for 0 steps PRESSURE: 67250 0 0 0 0 0 0 0 0 0 GPRESSURE: 67250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67250 244.1586 708.5427 391.1599 39.2914 -1742.4937 -282.2189 0.0000 0.0000 958.6751 317.1152 315.2089 329.3188 328.3561 315.2089 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67300 TCL: Running for 0 steps PRESSURE: 67300 0 0 0 0 0 0 0 0 0 GPRESSURE: 67300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67300 236.4253 703.2939 382.3186 45.2468 -1786.2181 -292.0433 0.0000 0.0000 959.8320 248.8554 315.5893 260.7353 261.0466 315.5893 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67350 TCL: Running for 0 steps PRESSURE: 67350 0 0 0 0 0 0 0 0 0 GPRESSURE: 67350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67350 219.8268 754.3763 394.7024 50.8369 -1784.1780 -297.1198 0.0000 0.0000 959.4975 297.9421 315.4793 310.2838 308.8442 315.4793 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67400 TCL: Running for 0 steps PRESSURE: 67400 0 0 0 0 0 0 0 0 0 GPRESSURE: 67400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67400 233.2465 772.9831 381.2569 43.8718 -1787.9399 -290.9602 0.0000 0.0000 960.3162 312.7745 315.7485 325.5050 322.6970 315.7485 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67450 TCL: Running for 0 steps PRESSURE: 67450 0 0 0 0 0 0 0 0 0 GPRESSURE: 67450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67450 250.6714 722.2373 388.3581 57.3126 -1772.8412 -306.2895 0.0000 0.0000 959.1743 298.6231 315.3731 310.6813 310.5702 315.3731 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67500 TCL: Running for 0 steps PRESSURE: 67500 0 0 0 0 0 0 0 0 0 GPRESSURE: 67500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67500 240.9086 712.6612 387.1790 43.5566 -1726.2389 -310.6265 0.0000 0.0000 955.8879 303.3278 314.2925 315.5713 314.7724 314.2925 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67550 TCL: Running for 0 steps PRESSURE: 67550 0 0 0 0 0 0 0 0 0 GPRESSURE: 67550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67550 255.2380 722.9371 385.4586 43.9958 -1771.7663 -288.9513 0.0000 0.0000 957.2206 304.1326 314.7307 316.2101 316.0837 314.7307 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67600 TCL: Running for 0 steps PRESSURE: 67600 0 0 0 0 0 0 0 0 0 GPRESSURE: 67600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67600 225.1990 765.4808 389.0091 51.2333 -1778.7321 -272.7941 0.0000 0.0000 951.8617 331.2578 312.9687 343.8475 341.8080 312.9687 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67650 TCL: Running for 0 steps PRESSURE: 67650 0 0 0 0 0 0 0 0 0 GPRESSURE: 67650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67650 253.1163 719.7158 377.9159 33.8537 -1797.4418 -283.3091 0.0000 0.0000 957.2180 261.0690 314.7298 273.4009 272.4556 314.7298 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67700 TCL: Running for 0 steps PRESSURE: 67700 0 0 0 0 0 0 0 0 0 GPRESSURE: 67700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67700 251.4754 765.8952 396.5856 40.1668 -1769.8590 -302.2833 0.0000 0.0000 961.5520 343.5326 316.1548 356.4763 353.2960 316.1548 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67750 TCL: Running for 0 steps PRESSURE: 67750 0 0 0 0 0 0 0 0 0 GPRESSURE: 67750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67750 246.6518 732.3620 385.9069 43.7427 -1780.5164 -288.7484 0.0000 0.0000 963.5310 302.9296 316.8055 315.0055 315.2781 316.8055 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67800 TCL: Running for 0 steps PRESSURE: 67800 0 0 0 0 0 0 0 0 0 GPRESSURE: 67800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67800 232.1953 699.2578 395.8455 43.5874 -1750.2769 -304.9828 0.0000 0.0000 960.6687 276.2949 315.8644 288.7350 287.6250 315.8644 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67850 TCL: Running for 0 steps PRESSURE: 67850 0 0 0 0 0 0 0 0 0 GPRESSURE: 67850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67850 221.3072 690.5830 382.5468 38.8242 -1745.0581 -298.8735 0.0000 0.0000 959.0782 248.4077 315.3415 260.3094 261.2876 315.3415 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67900 TCL: Running for 0 steps PRESSURE: 67900 0 0 0 0 0 0 0 0 0 GPRESSURE: 67900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67900 234.5323 682.5359 375.3382 46.7365 -1760.6685 -273.5471 0.0000 0.0000 956.2029 261.1301 314.3961 272.9937 274.0537 314.3961 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 67950 TCL: Running for 0 steps PRESSURE: 67950 0 0 0 0 0 0 0 0 0 GPRESSURE: 67950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 67950 249.4997 715.2512 391.3688 47.1860 -1760.2764 -292.0024 0.0000 0.0000 961.6876 312.7144 316.1994 325.1600 323.9713 316.1994 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68000 TCL: Running for 0 steps PRESSURE: 68000 0 0 0 0 0 0 0 0 0 GPRESSURE: 68000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68000 248.0037 702.0889 394.1208 37.1937 -1775.9619 -290.8069 0.0000 0.0000 965.0234 279.6618 317.2962 291.7805 291.8918 317.2962 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68050 TCL: Running for 0 steps PRESSURE: 68050 0 0 0 0 0 0 0 0 0 GPRESSURE: 68050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68050 268.7118 711.6741 373.7284 41.4467 -1731.8285 -327.6755 0.0000 0.0000 958.0670 294.1240 315.0090 306.6320 305.2767 315.0090 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68100 TCL: Running for 0 steps PRESSURE: 68100 0 0 0 0 0 0 0 0 0 GPRESSURE: 68100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68100 245.3715 714.3120 382.8783 36.4394 -1780.3777 -297.1377 0.0000 0.0000 956.4101 257.8960 314.4642 270.1055 269.9543 314.4642 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68150 TCL: Running for 0 steps PRESSURE: 68150 0 0 0 0 0 0 0 0 0 GPRESSURE: 68150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68150 241.0206 693.4203 382.1132 44.2248 -1772.2106 -289.8417 0.0000 0.0000 958.3561 257.0827 315.1040 269.0544 269.8042 315.1040 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68200 TCL: Running for 0 steps PRESSURE: 68200 0 0 0 0 0 0 0 0 0 GPRESSURE: 68200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68200 239.2376 713.1564 378.1576 36.1081 -1753.4226 -293.4922 0.0000 0.0000 964.4340 284.1791 317.1024 296.3528 296.2982 317.1024 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68250 TCL: Running for 0 steps PRESSURE: 68250 0 0 0 0 0 0 0 0 0 GPRESSURE: 68250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68250 233.6759 673.5727 394.8884 38.6539 -1749.9515 -294.7431 0.0000 0.0000 957.8545 253.9508 314.9391 266.1891 265.8954 314.9391 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68300 TCL: Running for 0 steps PRESSURE: 68300 0 0 0 0 0 0 0 0 0 GPRESSURE: 68300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68300 233.6310 699.8535 380.4257 37.6088 -1764.5374 -283.6215 0.0000 0.0000 956.4605 259.8207 314.4808 272.0468 271.8177 314.4808 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68350 TCL: Running for 0 steps PRESSURE: 68350 0 0 0 0 0 0 0 0 0 GPRESSURE: 68350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68350 227.5796 707.3975 381.2556 40.6874 -1772.0489 -298.5102 0.0000 0.0000 960.5992 246.9602 315.8416 258.9116 259.7266 315.8416 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68400 TCL: Running for 0 steps PRESSURE: 68400 0 0 0 0 0 0 0 0 0 GPRESSURE: 68400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68400 219.8401 717.2308 389.3548 37.1036 -1747.1425 -280.7915 0.0000 0.0000 957.4100 293.0053 314.7930 305.0163 305.5570 314.7930 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68450 TCL: Running for 0 steps PRESSURE: 68450 0 0 0 0 0 0 0 0 0 GPRESSURE: 68450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68450 231.9445 694.1313 392.6540 37.2335 -1763.5144 -305.4635 0.0000 0.0000 955.7920 242.7773 314.2610 254.6622 255.6423 314.2610 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68500 TCL: Running for 0 steps PRESSURE: 68500 0 0 0 0 0 0 0 0 0 GPRESSURE: 68500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68500 241.1847 719.7576 380.9413 41.8993 -1750.0308 -300.0836 0.0000 0.0000 959.4003 293.0688 315.4474 305.3507 304.7804 315.4474 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68550 TCL: Running for 0 steps PRESSURE: 68550 0 0 0 0 0 0 0 0 0 GPRESSURE: 68550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68550 230.2088 687.2592 404.1579 48.1142 -1717.2656 -305.1929 0.0000 0.0000 954.7937 302.0753 313.9327 313.6737 315.7020 313.9327 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68600 TCL: Running for 0 steps PRESSURE: 68600 0 0 0 0 0 0 0 0 0 GPRESSURE: 68600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68600 234.7042 678.9553 398.2500 36.7584 -1707.3176 -298.5001 0.0000 0.0000 961.4552 304.3055 316.1230 316.2647 316.8135 316.1230 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68650 TCL: Running for 0 steps PRESSURE: 68650 0 0 0 0 0 0 0 0 0 GPRESSURE: 68650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68650 231.1352 693.3305 392.6993 45.3326 -1730.5105 -296.0550 0.0000 0.0000 961.8346 297.7666 316.2477 309.9258 309.6903 316.2477 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68700 TCL: Running for 0 steps PRESSURE: 68700 0 0 0 0 0 0 0 0 0 GPRESSURE: 68700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68700 233.4121 703.2773 392.0351 44.4697 -1744.8179 -291.2938 0.0000 0.0000 954.8363 291.9188 313.9467 303.7614 304.7279 313.9467 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68750 TCL: Running for 0 steps PRESSURE: 68750 0 0 0 0 0 0 0 0 0 GPRESSURE: 68750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68750 230.7775 674.4745 388.7340 33.6665 -1721.5823 -296.7126 0.0000 0.0000 962.1555 271.5131 316.3533 282.4889 286.6454 316.3533 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68800 TCL: Running for 0 steps PRESSURE: 68800 0 0 0 0 0 0 0 0 0 GPRESSURE: 68800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68800 241.6137 770.3131 398.6396 41.8418 -1744.8241 -293.3616 0.0000 0.0000 963.9900 378.2125 316.9565 390.9050 388.3642 316.9565 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68850 TCL: Running for 0 steps PRESSURE: 68850 0 0 0 0 0 0 0 0 0 GPRESSURE: 68850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68850 237.7946 688.6078 400.7843 39.6894 -1719.7772 -291.7741 0.0000 0.0000 957.8956 313.2203 314.9526 325.0236 325.9761 314.9526 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68900 TCL: Running for 0 steps PRESSURE: 68900 0 0 0 0 0 0 0 0 0 GPRESSURE: 68900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68900 222.7876 702.0888 392.0158 39.0097 -1719.6430 -299.4013 0.0000 0.0000 957.4555 294.3133 314.8079 306.2616 306.6107 314.8079 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 68950 TCL: Running for 0 steps PRESSURE: 68950 0 0 0 0 0 0 0 0 0 GPRESSURE: 68950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 68950 239.4235 696.8920 377.0876 43.2626 -1729.3097 -312.3866 0.0000 0.0000 956.1795 271.1489 314.3884 283.0871 283.4522 314.3884 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69000 TCL: Running for 0 steps PRESSURE: 69000 0 0 0 0 0 0 0 0 0 GPRESSURE: 69000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69000 235.3875 705.0293 378.1747 39.0586 -1739.9470 -295.3048 0.0000 0.0000 957.6536 280.0519 314.8730 291.9940 292.3217 314.8730 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69050 TCL: Running for 0 steps PRESSURE: 69050 0 0 0 0 0 0 0 0 0 GPRESSURE: 69050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69050 237.4401 688.3667 394.1037 46.1203 -1728.2409 -315.9578 0.0000 0.0000 958.7922 280.6243 315.2474 291.9608 294.5389 315.2474 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69100 TCL: Running for 0 steps PRESSURE: 69100 0 0 0 0 0 0 0 0 0 GPRESSURE: 69100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69100 221.8761 739.2840 388.0711 49.1205 -1742.4549 -284.6814 0.0000 0.0000 951.6348 322.8502 312.8941 334.6633 335.2933 312.8941 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69150 TCL: Running for 0 steps PRESSURE: 69150 0 0 0 0 0 0 0 0 0 GPRESSURE: 69150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69150 228.4085 703.7290 383.5096 48.7920 -1699.3811 -304.0828 0.0000 0.0000 952.5411 313.5164 313.1921 325.3659 325.8199 313.1921 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69200 TCL: Running for 0 steps PRESSURE: 69200 0 0 0 0 0 0 0 0 0 GPRESSURE: 69200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69200 252.3306 698.6257 383.0208 42.4130 -1719.5261 -287.4295 0.0000 0.0000 957.9746 327.4091 314.9786 339.5843 338.7885 314.9786 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69250 TCL: Running for 0 steps PRESSURE: 69250 0 0 0 0 0 0 0 0 0 GPRESSURE: 69250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69250 232.3154 719.2150 383.9286 39.3870 -1682.1489 -308.9990 0.0000 0.0000 959.8884 343.5865 315.6078 355.8232 354.8467 315.6078 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69300 TCL: Running for 0 steps PRESSURE: 69300 0 0 0 0 0 0 0 0 0 GPRESSURE: 69300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69300 255.8475 718.8318 388.9221 38.4016 -1714.8856 -307.6114 0.0000 0.0000 954.5372 334.0434 313.8484 346.1787 345.6432 313.8484 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69350 TCL: Running for 0 steps PRESSURE: 69350 0 0 0 0 0 0 0 0 0 GPRESSURE: 69350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69350 231.9491 693.9608 399.3668 39.5702 -1679.1196 -289.4311 0.0000 0.0000 954.2322 350.5284 313.7481 362.8172 361.7396 313.7481 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69400 TCL: Running for 0 steps PRESSURE: 69400 0 0 0 0 0 0 0 0 0 GPRESSURE: 69400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69400 243.3968 720.5466 399.3858 40.0860 -1699.6580 -298.5324 0.0000 0.0000 953.2173 358.4422 313.4144 370.6748 369.8755 313.4144 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69450 TCL: Running for 0 steps PRESSURE: 69450 0 0 0 0 0 0 0 0 0 GPRESSURE: 69450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69450 238.8608 700.4317 391.3187 40.1968 -1697.1186 -307.8208 0.0000 0.0000 956.8854 322.7541 314.6205 334.8581 334.5907 314.6205 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69500 TCL: Running for 0 steps PRESSURE: 69500 0 0 0 0 0 0 0 0 0 GPRESSURE: 69500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69500 231.5922 745.3466 383.3169 43.0983 -1732.2449 -294.7401 0.0000 0.0000 956.7765 333.1455 314.5847 345.3393 344.7519 314.5847 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69550 TCL: Running for 0 steps PRESSURE: 69550 0 0 0 0 0 0 0 0 0 GPRESSURE: 69550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69550 239.5546 712.7571 385.7508 41.6747 -1709.2147 -307.5410 0.0000 0.0000 961.7727 324.7541 316.2274 337.4597 334.9901 316.2274 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69600 TCL: Running for 0 steps PRESSURE: 69600 0 0 0 0 0 0 0 0 0 GPRESSURE: 69600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69600 226.7792 711.7192 392.8201 46.7124 -1725.3829 -316.0629 0.0000 0.0000 963.3222 299.9071 316.7369 311.7331 312.7162 316.7369 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69650 TCL: Running for 0 steps PRESSURE: 69650 0 0 0 0 0 0 0 0 0 GPRESSURE: 69650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69650 239.3581 733.1764 386.4601 54.2809 -1750.9965 -313.3503 0.0000 0.0000 960.1366 309.0651 315.6895 321.3786 320.4722 315.6895 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69700 TCL: Running for 0 steps PRESSURE: 69700 0 0 0 0 0 0 0 0 0 GPRESSURE: 69700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69700 227.5899 757.8535 385.5257 43.0309 -1758.9512 -281.3284 0.0000 0.0000 957.7836 331.5039 314.9158 344.4230 341.3022 314.9158 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69750 TCL: Running for 0 steps PRESSURE: 69750 0 0 0 0 0 0 0 0 0 GPRESSURE: 69750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69750 242.1973 707.6164 399.5790 38.7759 -1750.9612 -280.8787 0.0000 0.0000 962.0898 318.4186 316.3317 330.8989 329.6188 316.3317 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69800 TCL: Running for 0 steps PRESSURE: 69800 0 0 0 0 0 0 0 0 0 GPRESSURE: 69800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69800 236.6542 722.2958 393.0878 39.5081 -1716.8394 -298.2937 0.0000 0.0000 965.6144 342.0273 317.4906 354.2582 353.9931 317.4906 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69850 TCL: Running for 0 steps PRESSURE: 69850 0 0 0 0 0 0 0 0 0 GPRESSURE: 69850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69850 225.2819 713.3511 384.4455 52.9006 -1703.7047 -295.3836 0.0000 0.0000 959.1544 336.0451 315.3665 347.9149 349.0207 315.3665 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69900 TCL: Running for 0 steps PRESSURE: 69900 0 0 0 0 0 0 0 0 0 GPRESSURE: 69900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69900 256.4621 698.2302 375.9068 34.3007 -1719.9751 -277.9120 0.0000 0.0000 963.2835 330.2962 316.7242 342.6702 341.8160 316.7242 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 69950 TCL: Running for 0 steps PRESSURE: 69950 0 0 0 0 0 0 0 0 0 GPRESSURE: 69950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 69950 236.3548 716.0989 398.2941 43.5194 -1729.9806 -298.0974 0.0000 0.0000 958.5481 324.7373 315.1672 337.3591 335.6290 315.1672 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70000 TCL: Running for 0 steps PRESSURE: 70000 0 0 0 0 0 0 0 0 0 GPRESSURE: 70000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70000 241.0471 714.6327 382.0425 37.1420 -1748.2509 -297.7966 0.0000 0.0000 954.9932 283.8100 313.9983 295.9105 296.2436 313.9983 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70050 TCL: Running for 0 steps PRESSURE: 70050 0 0 0 0 0 0 0 0 0 GPRESSURE: 70050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70050 240.9400 716.0462 387.2090 40.5957 -1758.2006 -288.0627 0.0000 0.0000 957.6402 296.1678 314.8686 308.4461 308.0915 314.8686 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70100 TCL: Running for 0 steps PRESSURE: 70100 0 0 0 0 0 0 0 0 0 GPRESSURE: 70100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70100 246.7265 727.4099 387.6558 34.3150 -1717.2906 -310.2382 0.0000 0.0000 962.0359 330.6143 316.3140 343.2907 341.4654 316.3140 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70150 TCL: Running for 0 steps PRESSURE: 70150 0 0 0 0 0 0 0 0 0 GPRESSURE: 70150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70150 232.6963 708.0384 409.0025 36.7482 -1731.7202 -269.7124 0.0000 0.0000 960.3245 345.3773 315.7512 358.0542 356.3413 315.7512 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70200 TCL: Running for 0 steps PRESSURE: 70200 0 0 0 0 0 0 0 0 0 GPRESSURE: 70200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70200 259.4876 710.4302 387.4531 43.8223 -1734.3248 -317.9612 0.0000 0.0000 963.8117 312.7190 316.8978 324.9426 325.0364 316.8978 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70250 TCL: Running for 0 steps PRESSURE: 70250 0 0 0 0 0 0 0 0 0 GPRESSURE: 70250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70250 228.1857 724.1626 388.3171 45.5171 -1728.9846 -300.5960 0.0000 0.0000 964.2898 320.8916 317.0550 333.0142 333.4809 317.0550 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70300 TCL: Running for 0 steps PRESSURE: 70300 0 0 0 0 0 0 0 0 0 GPRESSURE: 70300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70300 222.1944 734.1987 388.7069 43.2595 -1714.9186 -307.3589 0.0000 0.0000 961.9316 328.0137 316.2796 340.5454 339.4486 316.2796 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70350 TCL: Running for 0 steps PRESSURE: 70350 0 0 0 0 0 0 0 0 0 GPRESSURE: 70350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70350 245.0412 736.8601 399.0631 39.4009 -1730.7325 -309.9199 0.0000 0.0000 956.7376 336.4506 314.5719 348.9616 348.0111 314.5719 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70400 TCL: Running for 0 steps PRESSURE: 70400 0 0 0 0 0 0 0 0 0 GPRESSURE: 70400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70400 210.7815 732.2858 397.9997 44.3493 -1669.8319 -315.1461 0.0000 0.0000 956.3642 356.8025 314.4491 369.3517 368.3176 314.4491 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70450 TCL: Running for 0 steps PRESSURE: 70450 0 0 0 0 0 0 0 0 0 GPRESSURE: 70450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70450 230.4412 699.1549 392.6328 43.0960 -1711.4395 -305.6037 0.0000 0.0000 953.7293 302.0111 313.5828 314.0960 314.8678 313.5828 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70500 TCL: Running for 0 steps PRESSURE: 70500 0 0 0 0 0 0 0 0 0 GPRESSURE: 70500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70500 216.9024 716.8587 383.4100 42.5569 -1735.8168 -279.4861 0.0000 0.0000 953.0986 297.5236 313.3754 309.7089 310.0556 313.3754 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70550 TCL: Running for 0 steps PRESSURE: 70550 0 0 0 0 0 0 0 0 0 GPRESSURE: 70550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70550 244.6110 698.6024 381.3808 36.0803 -1706.5149 -287.1971 0.0000 0.0000 951.9668 318.9293 313.0033 331.4342 330.5606 313.0033 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70600 TCL: Running for 0 steps PRESSURE: 70600 0 0 0 0 0 0 0 0 0 GPRESSURE: 70600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70600 248.0378 729.5903 375.2386 42.2975 -1730.7544 -299.4817 0.0000 0.0000 957.7818 322.7100 314.9152 334.9568 335.1056 314.9152 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70650 TCL: Running for 0 steps PRESSURE: 70650 0 0 0 0 0 0 0 0 0 GPRESSURE: 70650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70650 236.7083 718.1098 383.4246 37.0386 -1727.7412 -301.6476 0.0000 0.0000 957.9925 303.8850 314.9845 315.8544 317.0343 314.9845 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70700 TCL: Running for 0 steps PRESSURE: 70700 0 0 0 0 0 0 0 0 0 GPRESSURE: 70700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70700 236.1379 713.4112 394.3028 37.4072 -1746.4924 -280.2688 0.0000 0.0000 957.7861 312.2841 314.9166 324.5881 324.4394 314.9166 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70750 TCL: Running for 0 steps PRESSURE: 70750 0 0 0 0 0 0 0 0 0 GPRESSURE: 70750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70750 218.2941 747.6113 381.6169 41.8830 -1759.6020 -296.1856 0.0000 0.0000 955.6528 289.2705 314.2152 301.9828 300.3122 314.2152 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70800 TCL: Running for 0 steps PRESSURE: 70800 0 0 0 0 0 0 0 0 0 GPRESSURE: 70800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70800 233.6664 710.4644 400.1402 45.9917 -1743.1431 -317.1182 0.0000 0.0000 958.0758 288.0772 315.0119 300.4204 300.2386 315.0119 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70850 TCL: Running for 0 steps PRESSURE: 70850 0 0 0 0 0 0 0 0 0 GPRESSURE: 70850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70850 238.8370 725.4368 388.2116 43.3199 -1765.5062 -305.5166 0.0000 0.0000 960.8785 285.6609 315.9334 297.9605 297.9538 315.9334 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70900 TCL: Running for 0 steps PRESSURE: 70900 0 0 0 0 0 0 0 0 0 GPRESSURE: 70900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70900 215.6270 748.7039 389.4220 37.2486 -1762.2438 -307.3907 0.0000 0.0000 957.9125 279.2796 314.9582 291.1846 292.6579 314.9582 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 70950 TCL: Running for 0 steps PRESSURE: 70950 0 0 0 0 0 0 0 0 0 GPRESSURE: 70950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 70950 246.4913 701.2020 383.5170 38.7151 -1733.8992 -322.8488 0.0000 0.0000 959.4222 272.5996 315.4546 284.4165 286.1281 315.4546 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71000 TCL: Running for 0 steps PRESSURE: 71000 0 0 0 0 0 0 0 0 0 GPRESSURE: 71000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71000 241.6454 684.4719 410.6406 47.0787 -1788.1890 -270.0286 0.0000 0.0000 955.4815 281.1005 314.1589 293.5467 292.7916 314.1589 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71050 TCL: Running for 0 steps PRESSURE: 71050 0 0 0 0 0 0 0 0 0 GPRESSURE: 71050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71050 244.9599 697.2705 387.8746 45.8695 -1738.4504 -283.6987 0.0000 0.0000 964.1365 317.9619 317.0046 330.4221 329.6616 317.0046 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71100 TCL: Running for 0 steps PRESSURE: 71100 0 0 0 0 0 0 0 0 0 GPRESSURE: 71100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71100 229.0054 714.3485 383.9855 33.9637 -1747.3225 -288.1794 0.0000 0.0000 958.9400 284.7412 315.2960 296.5822 298.1912 315.2960 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71150 TCL: Running for 0 steps PRESSURE: 71150 0 0 0 0 0 0 0 0 0 GPRESSURE: 71150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71150 242.4329 741.1819 388.8422 40.7993 -1751.3567 -301.0408 0.0000 0.0000 959.7448 320.6035 315.5606 333.0145 332.3852 315.5606 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71200 TCL: Running for 0 steps PRESSURE: 71200 0 0 0 0 0 0 0 0 0 GPRESSURE: 71200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71200 224.1278 718.8096 385.6350 39.1386 -1773.3295 -291.0162 0.0000 0.0000 956.1872 259.5524 314.3909 271.5470 272.5188 314.3909 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71250 TCL: Running for 0 steps PRESSURE: 71250 0 0 0 0 0 0 0 0 0 GPRESSURE: 71250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71250 250.2099 717.7664 377.5848 39.5466 -1778.9493 -287.0408 0.0000 0.0000 956.0700 275.1876 314.3524 286.8868 288.9054 314.3524 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71300 TCL: Running for 0 steps PRESSURE: 71300 0 0 0 0 0 0 0 0 0 GPRESSURE: 71300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71300 230.9259 740.4193 384.9167 44.4151 -1779.0421 -295.4641 0.0000 0.0000 963.9680 290.1388 316.9492 302.8020 301.0795 316.9492 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71350 TCL: Running for 0 steps PRESSURE: 71350 0 0 0 0 0 0 0 0 0 GPRESSURE: 71350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71350 247.0392 704.3472 387.9192 48.0362 -1752.8676 -299.3712 0.0000 0.0000 957.2314 292.3344 314.7342 304.4169 304.9798 314.7342 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71400 TCL: Running for 0 steps PRESSURE: 71400 0 0 0 0 0 0 0 0 0 GPRESSURE: 71400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71400 237.5206 719.9501 375.0481 43.6767 -1775.3056 -290.3708 0.0000 0.0000 956.7904 267.3096 314.5892 279.6671 279.1635 314.5892 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71450 TCL: Running for 0 steps PRESSURE: 71450 0 0 0 0 0 0 0 0 0 GPRESSURE: 71450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71450 245.4143 733.7246 378.0130 38.2506 -1783.1468 -331.7108 0.0000 0.0000 955.9218 236.4668 314.3037 248.3401 249.6838 314.3037 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71500 TCL: Running for 0 steps PRESSURE: 71500 0 0 0 0 0 0 0 0 0 GPRESSURE: 71500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71500 267.6276 691.3395 366.2744 43.0274 -1771.1260 -299.6856 0.0000 0.0000 956.9589 254.4163 314.6446 266.3455 267.3956 314.6446 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71550 TCL: Running for 0 steps PRESSURE: 71550 0 0 0 0 0 0 0 0 0 GPRESSURE: 71550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71550 201.3943 723.7723 391.7428 42.9287 -1771.3681 -275.9070 0.0000 0.0000 950.6209 263.1839 312.5607 275.0865 276.1707 312.5607 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71600 TCL: Running for 0 steps PRESSURE: 71600 0 0 0 0 0 0 0 0 0 GPRESSURE: 71600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71600 223.9866 725.8169 371.6715 39.5471 -1786.7667 -307.0718 0.0000 0.0000 957.4868 224.6703 314.8182 236.3651 238.1608 314.8182 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71650 TCL: Running for 0 steps PRESSURE: 71650 0 0 0 0 0 0 0 0 0 GPRESSURE: 71650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71650 248.3531 688.6146 386.8125 36.1135 -1723.8617 -321.5120 0.0000 0.0000 957.1782 271.6983 314.7167 283.9008 283.6803 314.7167 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71700 TCL: Running for 0 steps PRESSURE: 71700 0 0 0 0 0 0 0 0 0 GPRESSURE: 71700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71700 249.7848 722.6856 379.0039 41.0598 -1751.5728 -298.2341 0.0000 0.0000 956.2495 298.9767 314.4114 311.3508 310.5005 314.4114 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71750 TCL: Running for 0 steps PRESSURE: 71750 0 0 0 0 0 0 0 0 0 GPRESSURE: 71750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71750 236.2039 714.7401 393.1824 37.3661 -1757.4750 -303.0502 0.0000 0.0000 956.0392 277.0065 314.3422 288.9730 289.7044 314.3422 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71800 TCL: Running for 0 steps PRESSURE: 71800 0 0 0 0 0 0 0 0 0 GPRESSURE: 71800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71800 232.1901 733.5691 381.1975 35.8048 -1751.6288 -302.3088 0.0000 0.0000 959.1584 287.9823 315.3678 300.6448 298.7204 315.3678 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71850 TCL: Running for 0 steps PRESSURE: 71850 0 0 0 0 0 0 0 0 0 GPRESSURE: 71850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71850 243.8652 728.6315 376.7269 41.1139 -1774.3258 -305.2831 0.0000 0.0000 955.9813 266.7098 314.3232 278.8828 278.9143 314.3232 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71900 TCL: Running for 0 steps PRESSURE: 71900 0 0 0 0 0 0 0 0 0 GPRESSURE: 71900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71900 235.4695 752.1308 388.0657 38.5988 -1770.4082 -287.0134 0.0000 0.0000 954.6088 311.4519 313.8719 324.0578 322.4641 313.8719 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 71950 TCL: Running for 0 steps PRESSURE: 71950 0 0 0 0 0 0 0 0 0 GPRESSURE: 71950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 71950 248.2241 696.6342 411.1344 39.1678 -1769.1235 -284.5383 0.0000 0.0000 950.1015 291.6002 312.3900 303.7224 304.0421 312.3900 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72000 TCL: Running for 0 steps PRESSURE: 72000 0 0 0 0 0 0 0 0 0 GPRESSURE: 72000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72000 244.6026 751.8517 389.0905 34.6659 -1740.4612 -311.1510 0.0000 0.0000 955.9456 324.5441 314.3115 337.1425 335.6564 314.3115 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72050 TCL: Running for 0 steps PRESSURE: 72050 0 0 0 0 0 0 0 0 0 GPRESSURE: 72050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72050 230.7693 719.9038 383.2678 37.9781 -1734.7628 -310.1093 0.0000 0.0000 956.8575 283.9044 314.6113 296.0677 296.3062 314.6113 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72100 TCL: Running for 0 steps PRESSURE: 72100 0 0 0 0 0 0 0 0 0 GPRESSURE: 72100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72100 241.3654 707.4628 378.1030 42.3656 -1719.5900 -331.9595 0.0000 0.0000 955.7701 273.5174 314.2538 285.5841 286.1699 314.2538 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72150 TCL: Running for 0 steps PRESSURE: 72150 0 0 0 0 0 0 0 0 0 GPRESSURE: 72150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72150 240.4661 696.1319 391.9719 38.5505 -1732.3096 -308.2924 0.0000 0.0000 963.3995 289.9180 316.7623 301.8606 302.8753 316.7623 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72200 TCL: Running for 0 steps PRESSURE: 72200 0 0 0 0 0 0 0 0 0 GPRESSURE: 72200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72200 253.8401 711.6647 384.7545 41.4924 -1731.9400 -327.1403 0.0000 0.0000 953.4757 286.1471 313.4994 298.0654 299.1075 313.4994 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72250 TCL: Running for 0 steps PRESSURE: 72250 0 0 0 0 0 0 0 0 0 GPRESSURE: 72250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72250 236.9615 723.2912 384.3559 38.3355 -1765.9265 -304.0706 0.0000 0.0000 953.6568 266.6038 313.5589 278.4751 279.6285 313.5589 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72300 TCL: Running for 0 steps PRESSURE: 72300 0 0 0 0 0 0 0 0 0 GPRESSURE: 72300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72300 232.8647 747.8960 396.2745 42.2879 -1776.4949 -323.4157 0.0000 0.0000 951.4793 270.8919 312.8430 283.0731 282.9923 312.8430 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72350 TCL: Running for 0 steps PRESSURE: 72350 0 0 0 0 0 0 0 0 0 GPRESSURE: 72350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72350 216.8974 757.6194 400.5880 33.7374 -1732.0124 -319.0724 0.0000 0.0000 951.0823 308.8398 312.7124 321.0809 320.7805 312.7124 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72400 TCL: Running for 0 steps PRESSURE: 72400 0 0 0 0 0 0 0 0 0 GPRESSURE: 72400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72400 240.7273 716.1882 386.5756 41.8772 -1762.7489 -315.4998 0.0000 0.0000 954.7412 261.8609 313.9155 273.5956 275.2130 313.9155 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72450 TCL: Running for 0 steps PRESSURE: 72450 0 0 0 0 0 0 0 0 0 GPRESSURE: 72450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72450 247.9866 712.9033 397.2497 42.1961 -1748.7629 -329.2360 0.0000 0.0000 955.2893 277.6261 314.0957 289.5094 290.4687 314.0957 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72500 TCL: Running for 0 steps PRESSURE: 72500 0 0 0 0 0 0 0 0 0 GPRESSURE: 72500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72500 243.7081 742.5305 387.6058 34.0253 -1756.1640 -305.5845 0.0000 0.0000 951.6013 297.7225 312.8831 309.5330 310.7051 312.8831 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72550 TCL: Running for 0 steps PRESSURE: 72550 0 0 0 0 0 0 0 0 0 GPRESSURE: 72550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72550 252.6412 720.1623 381.2882 43.3326 -1748.3842 -310.1890 0.0000 0.0000 957.2142 296.0653 314.7286 308.1496 308.2217 314.7286 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72600 TCL: Running for 0 steps PRESSURE: 72600 0 0 0 0 0 0 0 0 0 GPRESSURE: 72600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72600 222.8954 736.2046 396.5451 41.7135 -1750.9576 -326.3407 0.0000 0.0000 954.9681 275.0283 313.9901 287.2118 286.9077 313.9901 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72650 TCL: Running for 0 steps PRESSURE: 72650 0 0 0 0 0 0 0 0 0 GPRESSURE: 72650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72650 215.1858 705.6931 391.4858 45.5157 -1746.7330 -304.5388 0.0000 0.0000 957.9754 264.5841 314.9789 276.7170 276.6214 314.9789 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72700 TCL: Running for 0 steps PRESSURE: 72700 0 0 0 0 0 0 0 0 0 GPRESSURE: 72700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72700 227.2645 768.6298 406.2739 36.7921 -1764.5797 -306.9785 0.0000 0.0000 955.8465 323.2485 314.2789 336.3952 332.5040 314.2789 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72750 TCL: Running for 0 steps PRESSURE: 72750 0 0 0 0 0 0 0 0 0 GPRESSURE: 72750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72750 236.7302 759.5743 395.2066 47.2439 -1786.8213 -279.0692 0.0000 0.0000 947.7086 320.5731 311.6032 333.4074 330.9306 311.6032 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72800 TCL: Running for 0 steps PRESSURE: 72800 0 0 0 0 0 0 0 0 0 GPRESSURE: 72800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72800 260.2379 753.1617 385.1753 39.5533 -1742.7319 -306.5583 0.0000 0.0000 946.4343 335.2724 311.1842 348.1494 345.6674 311.1842 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72850 TCL: Running for 0 steps PRESSURE: 72850 0 0 0 0 0 0 0 0 0 GPRESSURE: 72850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72850 243.6568 721.3808 399.9207 43.7890 -1759.0527 -326.1643 0.0000 0.0000 949.7555 273.2860 312.2762 285.1210 286.7015 312.2762 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72900 TCL: Running for 0 steps PRESSURE: 72900 0 0 0 0 0 0 0 0 0 GPRESSURE: 72900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72900 235.2345 699.8137 410.1743 45.6753 -1759.8364 -302.2604 0.0000 0.0000 957.2908 286.0918 314.7538 297.4837 300.6270 314.7538 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 72950 TCL: Running for 0 steps PRESSURE: 72950 0 0 0 0 0 0 0 0 0 GPRESSURE: 72950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 72950 223.6001 675.8917 419.3796 44.2533 -1764.0843 -307.8415 0.0000 0.0000 952.7019 243.9008 313.2450 255.2675 258.3091 313.2450 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73000 TCL: Running for 0 steps PRESSURE: 73000 0 0 0 0 0 0 0 0 0 GPRESSURE: 73000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73000 248.3188 697.3925 392.1675 37.2064 -1769.4568 -299.8038 0.0000 0.0000 952.6965 258.5210 313.2432 270.7555 270.3528 313.2432 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73050 TCL: Running for 0 steps PRESSURE: 73050 0 0 0 0 0 0 0 0 0 GPRESSURE: 73050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73050 229.6537 684.6423 380.8859 46.8431 -1751.6086 -301.9067 0.0000 0.0000 956.4384 244.9481 314.4735 256.5207 258.6253 314.4735 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73100 TCL: Running for 0 steps PRESSURE: 73100 0 0 0 0 0 0 0 0 0 GPRESSURE: 73100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73100 225.5745 690.5858 387.3110 37.7614 -1752.7685 -305.5637 0.0000 0.0000 954.7111 237.6115 313.9056 248.8365 252.1130 313.9056 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73150 TCL: Running for 0 steps PRESSURE: 73150 0 0 0 0 0 0 0 0 0 GPRESSURE: 73150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73150 242.1713 693.4639 390.6498 44.1659 -1750.9124 -307.7206 0.0000 0.0000 948.4631 260.2809 311.8512 272.0328 273.1288 311.8512 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73200 TCL: Running for 0 steps PRESSURE: 73200 0 0 0 0 0 0 0 0 0 GPRESSURE: 73200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73200 212.3199 699.9350 404.2056 47.4433 -1758.7575 -306.8905 0.0000 0.0000 953.8028 252.0586 313.6069 263.2159 266.4730 313.6069 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73250 TCL: Running for 0 steps PRESSURE: 73250 0 0 0 0 0 0 0 0 0 GPRESSURE: 73250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73250 251.4840 712.0982 384.1676 48.2173 -1735.5174 -325.9139 0.0000 0.0000 946.5466 281.0825 311.2211 292.5789 294.3608 311.2211 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73300 TCL: Running for 0 steps PRESSURE: 73300 0 0 0 0 0 0 0 0 0 GPRESSURE: 73300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73300 249.1668 706.3772 390.3699 37.5635 -1759.5144 -314.7518 0.0000 0.0000 946.0098 255.2210 311.0446 267.0539 267.4628 311.0446 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73350 TCL: Running for 0 steps PRESSURE: 73350 0 0 0 0 0 0 0 0 0 GPRESSURE: 73350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73350 223.7784 699.6938 385.4633 43.5600 -1725.8079 -324.6530 0.0000 0.0000 951.0657 253.1004 312.7070 264.7744 265.7534 312.7070 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73400 TCL: Running for 0 steps PRESSURE: 73400 0 0 0 0 0 0 0 0 0 GPRESSURE: 73400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73400 233.3559 711.4826 379.9103 35.9397 -1767.5758 -313.1351 0.0000 0.0000 953.2004 233.1780 313.4089 244.7626 246.0155 313.4089 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73450 TCL: Running for 0 steps PRESSURE: 73450 0 0 0 0 0 0 0 0 0 GPRESSURE: 73450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73450 244.4418 716.4775 384.6845 36.5213 -1768.7618 -300.1306 0.0000 0.0000 946.6561 259.8888 311.2571 271.8920 271.4972 311.2571 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73500 TCL: Running for 0 steps PRESSURE: 73500 0 0 0 0 0 0 0 0 0 GPRESSURE: 73500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73500 227.1940 700.6335 386.5996 39.8722 -1751.1976 -319.8720 0.0000 0.0000 947.3341 230.5638 311.4800 241.9338 243.9380 311.4800 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73550 TCL: Running for 0 steps PRESSURE: 73550 0 0 0 0 0 0 0 0 0 GPRESSURE: 73550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73550 225.5708 750.1298 403.5054 41.7425 -1756.7309 -289.3611 0.0000 0.0000 945.6238 320.4804 310.9177 332.7958 331.1292 310.9177 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73600 TCL: Running for 0 steps PRESSURE: 73600 0 0 0 0 0 0 0 0 0 GPRESSURE: 73600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73600 245.3500 691.4502 383.4546 40.1375 -1744.0676 -290.8421 0.0000 0.0000 948.2666 273.7490 311.7866 286.0571 284.5224 311.7866 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73650 TCL: Running for 0 steps PRESSURE: 73650 0 0 0 0 0 0 0 0 0 GPRESSURE: 73650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73650 237.6105 688.9760 399.6801 50.3760 -1769.8552 -300.6741 0.0000 0.0000 945.2200 251.3334 310.7849 263.2770 263.2048 310.7849 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73700 TCL: Running for 0 steps PRESSURE: 73700 0 0 0 0 0 0 0 0 0 GPRESSURE: 73700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73700 226.9824 716.1577 385.7837 40.7199 -1786.2225 -282.8452 0.0000 0.0000 955.0867 255.6627 314.0291 267.5021 267.8254 314.0291 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73750 TCL: Running for 0 steps PRESSURE: 73750 0 0 0 0 0 0 0 0 0 GPRESSURE: 73750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73750 226.7288 702.6025 387.9733 39.5930 -1740.3615 -304.4985 0.0000 0.0000 955.6101 267.6477 314.2012 279.4134 279.9928 314.2012 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73800 TCL: Running for 0 steps PRESSURE: 73800 0 0 0 0 0 0 0 0 0 GPRESSURE: 73800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73800 239.9200 737.4070 384.5638 38.3283 -1751.1669 -326.3178 0.0000 0.0000 957.8783 280.6126 314.9469 293.2704 290.4680 314.9469 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73850 TCL: Running for 0 steps PRESSURE: 73850 0 0 0 0 0 0 0 0 0 GPRESSURE: 73850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73850 233.5076 743.3157 394.9774 37.9330 -1781.0771 -315.1009 0.0000 0.0000 953.3478 266.9034 313.4573 278.9031 278.7438 313.4573 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73900 TCL: Running for 0 steps PRESSURE: 73900 0 0 0 0 0 0 0 0 0 GPRESSURE: 73900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73900 224.2292 730.9705 390.8635 44.4630 -1778.3351 -306.0659 0.0000 0.0000 956.1538 262.2790 314.3799 274.0405 274.7844 314.3799 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 73950 TCL: Running for 0 steps PRESSURE: 73950 0 0 0 0 0 0 0 0 0 GPRESSURE: 73950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 73950 254.7418 701.5779 382.4539 37.9310 -1782.7779 -296.8109 0.0000 0.0000 948.5372 245.6530 311.8756 257.6071 257.5824 311.8756 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74000 TCL: Running for 0 steps PRESSURE: 74000 0 0 0 0 0 0 0 0 0 GPRESSURE: 74000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74000 224.6592 694.1737 389.2324 48.2397 -1761.2196 -291.9706 0.0000 0.0000 954.5352 257.6499 313.8477 269.3084 270.3938 313.8477 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74050 TCL: Running for 0 steps PRESSURE: 74050 0 0 0 0 0 0 0 0 0 GPRESSURE: 74050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74050 221.2437 712.4262 390.0506 44.0060 -1748.5001 -301.3154 0.0000 0.0000 949.7530 267.6639 312.2754 279.3780 280.1872 312.2754 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74100 TCL: Running for 0 steps PRESSURE: 74100 0 0 0 0 0 0 0 0 0 GPRESSURE: 74100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74100 217.6116 754.6823 387.7117 41.3579 -1786.9936 -291.8635 0.0000 0.0000 953.9125 276.4189 313.6430 288.7250 287.2632 313.6430 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74150 TCL: Running for 0 steps PRESSURE: 74150 0 0 0 0 0 0 0 0 0 GPRESSURE: 74150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74150 237.0773 681.0713 379.4304 36.9632 -1751.0385 -282.2427 0.0000 0.0000 955.7207 256.9818 314.2375 269.0810 268.4867 314.2375 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74200 TCL: Running for 0 steps PRESSURE: 74200 0 0 0 0 0 0 0 0 0 GPRESSURE: 74200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74200 219.8963 698.5482 400.9293 42.9125 -1739.8669 -298.8568 0.0000 0.0000 955.3224 278.8849 314.1066 290.6087 291.4593 314.1066 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74250 TCL: Running for 0 steps PRESSURE: 74250 0 0 0 0 0 0 0 0 0 GPRESSURE: 74250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74250 223.3881 704.7074 409.3031 46.4775 -1751.6071 -289.5269 0.0000 0.0000 952.3473 295.0894 313.1284 307.2658 306.3659 313.1284 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74300 TCL: Running for 0 steps PRESSURE: 74300 0 0 0 0 0 0 0 0 0 GPRESSURE: 74300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74300 275.4636 722.8911 390.3822 38.7713 -1803.6745 -301.1252 0.0000 0.0000 956.4623 279.1708 314.4814 291.0721 291.2602 314.4814 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74350 TCL: Running for 0 steps PRESSURE: 74350 0 0 0 0 0 0 0 0 0 GPRESSURE: 74350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74350 257.3247 711.4417 397.1063 45.0653 -1766.6830 -308.5052 0.0000 0.0000 955.0825 290.8322 314.0277 302.8136 302.6894 314.0277 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74400 TCL: Running for 0 steps PRESSURE: 74400 0 0 0 0 0 0 0 0 0 GPRESSURE: 74400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74400 221.6051 710.5617 394.1083 53.8770 -1737.0583 -317.5273 0.0000 0.0000 957.2551 282.8215 314.7420 294.4149 295.7534 314.7420 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74450 TCL: Running for 0 steps PRESSURE: 74450 0 0 0 0 0 0 0 0 0 GPRESSURE: 74450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74450 243.0239 711.3973 386.1976 48.0991 -1750.7273 -307.4226 0.0000 0.0000 952.0903 282.6582 313.0439 294.5145 294.7838 313.0439 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74500 TCL: Running for 0 steps PRESSURE: 74500 0 0 0 0 0 0 0 0 0 GPRESSURE: 74500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74500 230.1343 715.5193 393.2153 46.8604 -1709.4191 -299.0040 0.0000 0.0000 960.3820 337.6883 315.7702 349.5954 349.6572 315.7702 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74550 TCL: Running for 0 steps PRESSURE: 74550 0 0 0 0 0 0 0 0 0 GPRESSURE: 74550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74550 240.8336 741.4309 389.9753 43.5099 -1723.2693 -310.9750 0.0000 0.0000 954.1054 335.6108 313.7064 347.7150 347.0339 313.7064 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74600 TCL: Running for 0 steps PRESSURE: 74600 0 0 0 0 0 0 0 0 0 GPRESSURE: 74600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74600 257.0233 713.4553 397.1539 50.8609 -1755.9171 -298.6705 0.0000 0.0000 955.5489 319.4547 314.1810 331.4915 331.1056 314.1810 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74650 TCL: Running for 0 steps PRESSURE: 74650 0 0 0 0 0 0 0 0 0 GPRESSURE: 74650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74650 248.0936 732.5344 390.7380 35.7959 -1742.3940 -324.7141 0.0000 0.0000 957.4329 297.4867 314.8005 309.4271 309.4270 314.8005 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74700 TCL: Running for 0 steps PRESSURE: 74700 0 0 0 0 0 0 0 0 0 GPRESSURE: 74700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74700 229.1997 742.7194 379.3201 45.3175 -1758.0733 -312.2694 0.0000 0.0000 956.7436 282.9577 314.5739 294.8694 294.9766 314.5739 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74750 TCL: Running for 0 steps PRESSURE: 74750 0 0 0 0 0 0 0 0 0 GPRESSURE: 74750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74750 216.7275 716.3175 379.8380 36.9134 -1720.5333 -268.3503 0.0000 0.0000 959.4230 320.3357 315.4548 332.4519 331.7856 315.4548 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74800 TCL: Running for 0 steps PRESSURE: 74800 0 0 0 0 0 0 0 0 0 GPRESSURE: 74800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74800 252.2759 696.8387 397.2030 42.9240 -1758.5607 -308.4497 0.0000 0.0000 952.2806 274.5118 313.1064 286.6586 285.9193 313.1064 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74850 TCL: Running for 0 steps PRESSURE: 74850 0 0 0 0 0 0 0 0 0 GPRESSURE: 74850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74850 217.7657 782.4358 384.8944 41.7180 -1766.9142 -319.9835 0.0000 0.0000 952.8289 292.7451 313.2867 304.7730 304.5259 313.2867 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74900 TCL: Running for 0 steps PRESSURE: 74900 0 0 0 0 0 0 0 0 0 GPRESSURE: 74900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74900 248.6353 729.4218 381.9629 43.0464 -1748.8662 -298.6593 0.0000 0.0000 957.7805 313.3215 314.9148 325.2007 325.5265 314.9148 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 74950 TCL: Running for 0 steps PRESSURE: 74950 0 0 0 0 0 0 0 0 0 GPRESSURE: 74950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 74950 235.4566 719.7275 379.9796 39.4981 -1757.8327 -299.3947 0.0000 0.0000 960.5496 277.9839 315.8253 289.8166 290.2967 315.8253 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75000 TCL: Running for 0 steps PRESSURE: 75000 0 0 0 0 0 0 0 0 0 GPRESSURE: 75000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75000 236.2949 677.8909 383.5346 40.0525 -1749.2410 -291.3050 0.0000 0.0000 956.0083 253.2351 314.3321 264.5673 266.8941 314.3321 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75050 TCL: Running for 0 steps PRESSURE: 75050 0 0 0 0 0 0 0 0 0 GPRESSURE: 75050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75050 240.0575 701.0503 393.2823 41.0902 -1766.2491 -308.0467 0.0000 0.0000 952.4038 253.5882 313.1469 265.4632 265.6092 313.1469 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75100 TCL: Running for 0 steps PRESSURE: 75100 0 0 0 0 0 0 0 0 0 GPRESSURE: 75100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75100 227.4436 707.3885 387.6240 31.1285 -1775.4633 -290.9724 0.0000 0.0000 956.7938 243.9427 314.5904 256.0427 255.3357 314.5904 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75150 TCL: Running for 0 steps PRESSURE: 75150 0 0 0 0 0 0 0 0 0 GPRESSURE: 75150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75150 236.1861 682.6418 402.2544 46.9514 -1766.1607 -308.9599 0.0000 0.0000 958.5466 251.4596 315.1667 263.2424 263.7689 315.1667 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75200 TCL: Running for 0 steps PRESSURE: 75200 0 0 0 0 0 0 0 0 0 GPRESSURE: 75200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75200 238.7287 739.5051 391.8868 33.8332 -1787.1534 -301.2101 0.0000 0.0000 949.7727 265.3630 312.2818 277.0557 277.8872 312.2818 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75250 TCL: Running for 0 steps PRESSURE: 75250 0 0 0 0 0 0 0 0 0 GPRESSURE: 75250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75250 228.0928 760.4115 401.6874 42.6709 -1770.0833 -293.6693 0.0000 0.0000 956.2637 325.3736 314.4160 337.7639 335.9272 314.4160 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75300 TCL: Running for 0 steps PRESSURE: 75300 0 0 0 0 0 0 0 0 0 GPRESSURE: 75300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75300 219.5217 743.5301 387.8835 33.5719 -1733.8619 -302.7172 0.0000 0.0000 956.2121 304.1402 314.3991 315.9122 316.5089 314.3991 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75350 TCL: Running for 0 steps PRESSURE: 75350 0 0 0 0 0 0 0 0 0 GPRESSURE: 75350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75350 244.1118 702.6626 387.4244 40.4086 -1753.8664 -302.1042 0.0000 0.0000 950.5511 269.1878 312.5378 281.0437 281.2889 312.5378 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75400 TCL: Running for 0 steps PRESSURE: 75400 0 0 0 0 0 0 0 0 0 GPRESSURE: 75400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75400 240.6080 740.7612 381.3429 48.9692 -1781.1489 -302.2480 0.0000 0.0000 944.1842 272.4685 310.4444 284.9482 282.8388 310.4444 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75450 TCL: Running for 0 steps PRESSURE: 75450 0 0 0 0 0 0 0 0 0 GPRESSURE: 75450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75450 258.7326 735.8395 376.4944 40.3524 -1778.3523 -301.9722 0.0000 0.0000 944.8421 275.9364 310.6607 288.3063 286.7405 310.6607 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75500 TCL: Running for 0 steps PRESSURE: 75500 0 0 0 0 0 0 0 0 0 GPRESSURE: 75500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75500 227.1823 684.8681 393.9195 33.4239 -1766.6406 -287.8376 0.0000 0.0000 947.4905 232.4061 311.5315 244.5514 243.9255 311.5315 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75550 TCL: Running for 0 steps PRESSURE: 75550 0 0 0 0 0 0 0 0 0 GPRESSURE: 75550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75550 213.7327 713.7855 392.9516 53.6868 -1784.1516 -283.5546 0.0000 0.0000 951.2627 257.7130 312.7718 269.9187 269.1058 312.7718 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75600 TCL: Running for 0 steps PRESSURE: 75600 0 0 0 0 0 0 0 0 0 GPRESSURE: 75600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75600 211.9106 708.5163 393.4666 45.8796 -1745.8767 -297.1640 0.0000 0.0000 951.2330 267.9654 312.7620 279.4682 281.3418 312.7620 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75650 TCL: Running for 0 steps PRESSURE: 75650 0 0 0 0 0 0 0 0 0 GPRESSURE: 75650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75650 234.9393 704.3239 391.3729 46.1674 -1771.6410 -305.2952 0.0000 0.0000 951.7378 251.6050 312.9280 263.8007 262.9590 312.9280 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75700 TCL: Running for 0 steps PRESSURE: 75700 0 0 0 0 0 0 0 0 0 GPRESSURE: 75700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75700 212.3939 729.3899 387.5785 43.7230 -1785.1701 -279.9190 0.0000 0.0000 949.2609 257.2570 312.1136 269.3044 269.0712 312.1136 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75750 TCL: Running for 0 steps PRESSURE: 75750 0 0 0 0 0 0 0 0 0 GPRESSURE: 75750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75750 236.3268 720.1176 393.1655 43.7695 -1782.7286 -312.4368 0.0000 0.0000 945.6897 243.9038 310.9394 255.7202 256.3678 310.9394 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75800 TCL: Running for 0 steps PRESSURE: 75800 0 0 0 0 0 0 0 0 0 GPRESSURE: 75800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75800 223.8442 735.5903 392.7525 38.2889 -1809.4776 -299.6837 0.0000 0.0000 945.7994 227.1139 310.9754 239.4974 237.9778 310.9754 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75850 TCL: Running for 0 steps PRESSURE: 75850 0 0 0 0 0 0 0 0 0 GPRESSURE: 75850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75850 228.3662 683.6535 388.7657 40.2569 -1780.1384 -297.9254 0.0000 0.0000 946.9924 209.9708 311.3677 221.3672 223.6446 311.3677 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75900 TCL: Running for 0 steps PRESSURE: 75900 0 0 0 0 0 0 0 0 0 GPRESSURE: 75900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75900 227.3908 685.6705 396.3623 35.7984 -1786.7269 -301.7064 0.0000 0.0000 949.4451 206.2338 312.1741 217.8409 219.1857 312.1741 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 75950 TCL: Running for 0 steps PRESSURE: 75950 0 0 0 0 0 0 0 0 0 GPRESSURE: 75950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 75950 255.7426 707.2682 386.2166 38.3897 -1778.0022 -305.0545 0.0000 0.0000 949.9774 254.5379 312.3492 266.3421 266.8636 312.3492 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76000 TCL: Running for 0 steps PRESSURE: 76000 0 0 0 0 0 0 0 0 0 GPRESSURE: 76000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76000 231.7196 689.6075 385.7837 39.2322 -1763.4153 -287.4780 0.0000 0.0000 947.1049 242.5544 311.4047 254.1110 255.5284 311.4047 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76050 TCL: Running for 0 steps PRESSURE: 76050 0 0 0 0 0 0 0 0 0 GPRESSURE: 76050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76050 226.5994 706.8438 381.6120 38.7142 -1765.4552 -284.0865 0.0000 0.0000 947.4302 251.6580 311.5116 263.9859 262.4225 311.5116 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76100 TCL: Running for 0 steps PRESSURE: 76100 0 0 0 0 0 0 0 0 0 GPRESSURE: 76100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76100 237.6868 697.5300 393.0567 47.3411 -1789.5672 -313.4608 0.0000 0.0000 948.4460 221.0327 311.8456 232.6410 233.8736 311.8456 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76150 TCL: Running for 0 steps PRESSURE: 76150 0 0 0 0 0 0 0 0 0 GPRESSURE: 76150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76150 249.0431 702.2619 402.5752 49.6186 -1781.5824 -296.7732 0.0000 0.0000 949.9946 275.1378 312.3548 286.7632 287.8544 312.3548 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76200 TCL: Running for 0 steps PRESSURE: 76200 0 0 0 0 0 0 0 0 0 GPRESSURE: 76200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76200 251.1873 720.9684 409.1931 45.4859 -1791.6920 -302.5609 0.0000 0.0000 949.3282 281.9101 312.1357 293.7844 293.8743 312.1357 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76250 TCL: Running for 0 steps PRESSURE: 76250 0 0 0 0 0 0 0 0 0 GPRESSURE: 76250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76250 234.0624 731.0673 397.3186 44.0716 -1786.6187 -318.4396 0.0000 0.0000 956.3912 257.8528 314.4580 269.4009 270.7085 314.4580 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76300 TCL: Running for 0 steps PRESSURE: 76300 0 0 0 0 0 0 0 0 0 GPRESSURE: 76300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76300 225.5937 720.5038 409.4675 38.2086 -1799.0297 -282.6917 0.0000 0.0000 951.4688 263.5211 312.8395 275.7742 274.3565 312.8395 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76350 TCL: Running for 0 steps PRESSURE: 76350 0 0 0 0 0 0 0 0 0 GPRESSURE: 76350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76350 241.1871 755.9249 416.6849 42.4874 -1777.8320 -312.3478 0.0000 0.0000 947.0216 313.1261 311.3773 325.2745 324.3378 311.3773 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76400 TCL: Running for 0 steps PRESSURE: 76400 0 0 0 0 0 0 0 0 0 GPRESSURE: 76400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76400 238.1393 739.8979 397.6128 36.1086 -1745.8866 -310.0379 0.0000 0.0000 955.1250 310.9591 314.0417 323.1080 322.2279 314.0417 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76450 TCL: Running for 0 steps PRESSURE: 76450 0 0 0 0 0 0 0 0 0 GPRESSURE: 76450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76450 222.6511 748.5627 393.2130 44.6669 -1772.4555 -283.5553 0.0000 0.0000 955.4461 308.5289 314.1472 320.6657 319.8859 314.1472 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76500 TCL: Running for 0 steps PRESSURE: 76500 0 0 0 0 0 0 0 0 0 GPRESSURE: 76500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76500 230.4378 748.4022 392.2541 42.5218 -1767.7621 -284.0024 0.0000 0.0000 950.4418 312.2932 312.5018 324.5604 323.3407 312.5018 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76550 TCL: Running for 0 steps PRESSURE: 76550 0 0 0 0 0 0 0 0 0 GPRESSURE: 76550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76550 251.1566 763.3136 376.6410 29.2832 -1772.3779 -311.3519 0.0000 0.0000 945.7124 282.3770 310.9468 294.7673 293.1617 310.9468 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76600 TCL: Running for 0 steps PRESSURE: 76600 0 0 0 0 0 0 0 0 0 GPRESSURE: 76600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76600 238.8698 722.7049 377.9650 42.9368 -1756.0689 -291.9235 0.0000 0.0000 944.1061 278.5902 310.4187 290.4422 290.9558 310.4187 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76650 TCL: Running for 0 steps PRESSURE: 76650 0 0 0 0 0 0 0 0 0 GPRESSURE: 76650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76650 254.6481 748.5854 390.7844 47.0528 -1778.2519 -290.3746 0.0000 0.0000 950.9190 323.3631 312.6587 336.2565 332.8329 312.6587 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76700 TCL: Running for 0 steps PRESSURE: 76700 0 0 0 0 0 0 0 0 0 GPRESSURE: 76700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76700 254.9281 733.9498 407.0201 41.9873 -1779.3136 -294.9171 0.0000 0.0000 948.1760 311.8307 311.7569 324.4190 322.3533 311.7569 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76750 TCL: Running for 0 steps PRESSURE: 76750 0 0 0 0 0 0 0 0 0 GPRESSURE: 76750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76750 242.3941 689.6092 386.0860 34.2453 -1785.2056 -281.1559 0.0000 0.0000 945.8392 231.8123 310.9885 244.4090 242.4412 310.9885 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76800 TCL: Running for 0 steps PRESSURE: 76800 0 0 0 0 0 0 0 0 0 GPRESSURE: 76800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76800 244.9086 711.1374 385.7954 41.8855 -1772.6262 -300.1956 0.0000 0.0000 952.2027 263.1078 313.0808 275.6785 273.9310 313.0808 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76850 TCL: Running for 0 steps PRESSURE: 76850 0 0 0 0 0 0 0 0 0 GPRESSURE: 76850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76850 240.4166 707.9090 389.7026 40.1335 -1763.9441 -288.5489 0.0000 0.0000 948.8256 274.4943 311.9704 287.5669 284.0464 311.9704 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76900 TCL: Running for 0 steps PRESSURE: 76900 0 0 0 0 0 0 0 0 0 GPRESSURE: 76900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76900 217.1615 707.0685 394.6892 42.7172 -1763.3670 -298.4713 0.0000 0.0000 948.3030 248.1011 311.7986 260.6586 259.2899 311.7986 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 76950 TCL: Running for 0 steps PRESSURE: 76950 0 0 0 0 0 0 0 0 0 GPRESSURE: 76950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 76950 223.3355 731.1396 400.9274 46.4258 -1777.4581 -287.6391 0.0000 0.0000 949.3971 286.1281 312.1584 298.9220 296.7524 312.1584 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77000 TCL: Running for 0 steps PRESSURE: 77000 0 0 0 0 0 0 0 0 0 GPRESSURE: 77000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77000 212.2244 695.3794 384.7009 33.9107 -1753.6980 -306.3878 0.0000 0.0000 953.5875 219.7171 313.5361 231.5873 233.0170 313.5361 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77050 TCL: Running for 0 steps PRESSURE: 77050 0 0 0 0 0 0 0 0 0 GPRESSURE: 77050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77050 221.6378 711.1694 376.9178 36.4936 -1739.2107 -294.4865 0.0000 0.0000 951.6298 264.1512 312.8925 276.6566 275.6151 312.8925 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77100 TCL: Running for 0 steps PRESSURE: 77100 0 0 0 0 0 0 0 0 0 GPRESSURE: 77100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77100 234.1826 687.7924 381.2902 35.9127 -1748.9591 -293.3667 0.0000 0.0000 951.3217 248.1739 312.7911 260.4118 260.4382 312.7911 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77150 TCL: Running for 0 steps PRESSURE: 77150 0 0 0 0 0 0 0 0 0 GPRESSURE: 77150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77150 228.1294 696.3454 381.3465 35.0106 -1760.4625 -300.5682 0.0000 0.0000 955.2261 235.0272 314.0749 247.0195 247.9655 314.0749 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77200 TCL: Running for 0 steps PRESSURE: 77200 0 0 0 0 0 0 0 0 0 GPRESSURE: 77200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77200 228.0876 712.1933 377.4205 40.9803 -1786.3716 -287.4468 0.0000 0.0000 953.8028 238.6660 313.6069 250.5911 251.7301 313.6069 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77250 TCL: Running for 0 steps PRESSURE: 77250 0 0 0 0 0 0 0 0 0 GPRESSURE: 77250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77250 232.6714 698.8742 374.4339 36.4024 -1746.7576 -311.5437 0.0000 0.0000 946.6317 230.7123 311.2491 242.2525 244.7636 311.2491 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77300 TCL: Running for 0 steps PRESSURE: 77300 0 0 0 0 0 0 0 0 0 GPRESSURE: 77300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77300 233.0296 668.3042 375.9007 36.2185 -1753.7095 -305.1533 0.0000 0.0000 955.6345 210.2247 314.2092 221.7872 224.0574 314.2092 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77350 TCL: Running for 0 steps PRESSURE: 77350 0 0 0 0 0 0 0 0 0 GPRESSURE: 77350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77350 222.4466 710.9986 382.6103 43.0702 -1767.6292 -295.9140 0.0000 0.0000 952.9004 248.4828 313.3102 260.4359 261.0999 313.3102 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77400 TCL: Running for 0 steps PRESSURE: 77400 0 0 0 0 0 0 0 0 0 GPRESSURE: 77400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77400 236.1081 725.8102 383.7879 42.1540 -1763.3964 -289.1383 0.0000 0.0000 952.5795 287.9051 313.2047 300.2812 299.3173 313.2047 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77450 TCL: Running for 0 steps PRESSURE: 77450 0 0 0 0 0 0 0 0 0 GPRESSURE: 77450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77450 232.4646 714.9575 365.4792 45.1943 -1772.5694 -309.0303 0.0000 0.0000 954.8483 231.3442 313.9507 243.1282 244.4448 313.9507 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77500 TCL: Running for 0 steps PRESSURE: 77500 0 0 0 0 0 0 0 0 0 GPRESSURE: 77500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77500 239.7198 709.8241 362.2103 44.0601 -1766.5865 -301.5250 0.0000 0.0000 955.2118 242.9145 314.0702 254.7697 255.7372 314.0702 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77550 TCL: Running for 0 steps PRESSURE: 77550 0 0 0 0 0 0 0 0 0 GPRESSURE: 77550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77550 251.3636 695.9528 381.9629 35.0630 -1774.4726 -285.2516 0.0000 0.0000 953.7967 258.4148 313.6049 270.5192 270.4917 313.6049 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77600 TCL: Running for 0 steps PRESSURE: 77600 0 0 0 0 0 0 0 0 0 GPRESSURE: 77600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77600 237.7351 668.6406 389.1341 44.1021 -1776.1860 -279.4199 0.0000 0.0000 945.5044 229.5105 310.8784 241.4178 242.1309 310.8784 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77650 TCL: Running for 0 steps PRESSURE: 77650 0 0 0 0 0 0 0 0 0 GPRESSURE: 77650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77650 232.2193 733.1891 386.0815 39.7157 -1769.1401 -291.4484 0.0000 0.0000 952.4104 283.0275 313.1491 295.0490 295.2894 313.1491 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77700 TCL: Running for 0 steps PRESSURE: 77700 0 0 0 0 0 0 0 0 0 GPRESSURE: 77700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77700 229.4638 697.7895 368.0827 43.4326 -1763.8747 -281.4676 0.0000 0.0000 950.5536 243.9798 312.5386 255.8553 256.6282 312.5386 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77750 TCL: Running for 0 steps PRESSURE: 77750 0 0 0 0 0 0 0 0 0 GPRESSURE: 77750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77750 228.1450 731.7198 384.4997 43.3759 -1771.5556 -300.3041 0.0000 0.0000 947.9323 263.8131 311.6767 275.7407 276.2698 311.6767 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77800 TCL: Running for 0 steps PRESSURE: 77800 0 0 0 0 0 0 0 0 0 GPRESSURE: 77800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77800 219.6971 714.1422 385.0855 39.5235 -1751.4786 -286.3038 0.0000 0.0000 949.7559 270.4218 312.2763 282.4057 282.6908 312.2763 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77850 TCL: Running for 0 steps PRESSURE: 77850 0 0 0 0 0 0 0 0 0 GPRESSURE: 77850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77850 255.1573 713.1433 391.1442 36.8479 -1782.5021 -291.2057 0.0000 0.0000 950.0731 272.6580 312.3806 284.8146 284.4340 312.3806 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77900 TCL: Running for 0 steps PRESSURE: 77900 0 0 0 0 0 0 0 0 0 GPRESSURE: 77900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77900 255.7116 702.0410 388.1532 40.0982 -1777.5765 -304.2782 0.0000 0.0000 949.8834 254.0326 312.3182 266.4219 265.1927 312.3182 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 77950 TCL: Running for 0 steps PRESSURE: 77950 0 0 0 0 0 0 0 0 0 GPRESSURE: 77950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 77950 214.8459 678.3237 386.0611 38.1987 -1722.3996 -299.8881 0.0000 0.0000 948.1160 243.2577 311.7371 254.8828 256.5960 311.7371 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78000 TCL: Running for 0 steps PRESSURE: 78000 0 0 0 0 0 0 0 0 0 GPRESSURE: 78000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78000 227.8280 722.5660 382.7387 43.3673 -1742.6555 -297.0559 0.0000 0.0000 951.1562 287.9448 312.7367 300.1646 299.5405 312.7367 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78050 TCL: Running for 0 steps PRESSURE: 78050 0 0 0 0 0 0 0 0 0 GPRESSURE: 78050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78050 238.0357 690.0875 393.1262 41.7300 -1743.5875 -302.7734 0.0000 0.0000 949.4523 266.0708 312.1765 278.1217 278.1701 312.1765 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78100 TCL: Running for 0 steps PRESSURE: 78100 0 0 0 0 0 0 0 0 0 GPRESSURE: 78100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78100 233.6648 712.8790 394.1396 42.5538 -1752.5381 -292.7013 0.0000 0.0000 950.1976 288.1953 312.4215 300.5519 299.4511 312.4215 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78150 TCL: Running for 0 steps PRESSURE: 78150 0 0 0 0 0 0 0 0 0 GPRESSURE: 78150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78150 276.2530 718.6428 398.7701 47.2288 -1812.7604 -287.1429 0.0000 0.0000 948.8482 289.8394 311.9779 302.0464 301.5753 311.9779 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78200 TCL: Running for 0 steps PRESSURE: 78200 0 0 0 0 0 0 0 0 0 GPRESSURE: 78200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78200 209.2429 691.6041 386.1622 42.7969 -1770.4296 -305.7632 0.0000 0.0000 945.1979 198.8111 310.7777 210.3350 212.4551 310.7777 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78250 TCL: Running for 0 steps PRESSURE: 78250 0 0 0 0 0 0 0 0 0 GPRESSURE: 78250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78250 225.0312 714.6712 389.7713 44.9614 -1779.8311 -278.8990 0.0000 0.0000 949.7988 265.5039 312.2904 277.4639 277.8160 312.2904 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78300 TCL: Running for 0 steps PRESSURE: 78300 0 0 0 0 0 0 0 0 0 GPRESSURE: 78300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78300 221.1254 709.8482 388.3453 33.7061 -1776.9376 -293.0581 0.0000 0.0000 952.8786 235.9079 313.3031 247.4628 249.3120 313.3031 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78350 TCL: Running for 0 steps PRESSURE: 78350 0 0 0 0 0 0 0 0 0 GPRESSURE: 78350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78350 216.3860 752.5042 382.6742 39.8223 -1782.7738 -287.9088 0.0000 0.0000 948.6670 269.3710 311.9183 281.8456 280.1303 311.9183 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78400 TCL: Running for 0 steps PRESSURE: 78400 0 0 0 0 0 0 0 0 0 GPRESSURE: 78400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78400 219.2564 709.7509 389.2620 38.0768 -1775.2921 -287.4657 0.0000 0.0000 951.9862 245.5746 313.0096 257.1748 258.8456 313.0096 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78450 TCL: Running for 0 steps PRESSURE: 78450 0 0 0 0 0 0 0 0 0 GPRESSURE: 78450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78450 229.0932 701.9525 384.6064 33.1270 -1745.1466 -303.6737 0.0000 0.0000 942.9723 242.9312 310.0459 255.3115 253.9529 310.0459 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78500 TCL: Running for 0 steps PRESSURE: 78500 0 0 0 0 0 0 0 0 0 GPRESSURE: 78500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78500 234.9741 713.1588 393.4638 44.0454 -1822.6548 -297.5533 0.0000 0.0000 947.3557 212.7897 311.4871 224.8183 224.8633 311.4871 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78550 TCL: Running for 0 steps PRESSURE: 78550 0 0 0 0 0 0 0 0 0 GPRESSURE: 78550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78550 251.9641 748.4358 395.3870 39.0383 -1806.2684 -290.1050 0.0000 0.0000 947.1445 285.5963 311.4177 297.8659 297.0043 311.4177 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78600 TCL: Running for 0 steps PRESSURE: 78600 0 0 0 0 0 0 0 0 0 GPRESSURE: 78600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78600 239.9166 752.7663 386.9708 39.3400 -1779.8426 -300.2017 0.0000 0.0000 946.6486 285.5981 311.2547 298.7773 294.5585 311.2547 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78650 TCL: Running for 0 steps PRESSURE: 78650 0 0 0 0 0 0 0 0 0 GPRESSURE: 78650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78650 243.1903 717.4016 380.9064 44.2583 -1811.4333 -283.0621 0.0000 0.0000 950.5194 241.7807 312.5274 254.2188 253.0426 312.5274 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78700 TCL: Running for 0 steps PRESSURE: 78700 0 0 0 0 0 0 0 0 0 GPRESSURE: 78700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78700 260.1650 675.7847 371.5336 37.5096 -1772.7713 -300.1138 0.0000 0.0000 946.4078 218.5157 311.1755 230.1333 232.1078 311.1755 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78750 TCL: Running for 0 steps PRESSURE: 78750 0 0 0 0 0 0 0 0 0 GPRESSURE: 78750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78750 247.2829 699.2707 384.2325 44.4977 -1730.6164 -320.5288 0.0000 0.0000 943.8375 267.9761 310.3304 279.6606 281.2609 310.3304 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78800 TCL: Running for 0 steps PRESSURE: 78800 0 0 0 0 0 0 0 0 0 GPRESSURE: 78800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78800 263.3370 730.1620 385.5622 35.5786 -1764.9510 -302.2317 0.0000 0.0000 950.2463 297.7034 312.4376 310.0732 309.0035 312.4376 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78850 TCL: Running for 0 steps PRESSURE: 78850 0 0 0 0 0 0 0 0 0 GPRESSURE: 78850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78850 241.7659 699.3490 380.8226 39.6410 -1760.9082 -281.9169 0.0000 0.0000 956.6401 275.3935 314.5398 287.4825 287.5325 314.5398 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78900 TCL: Running for 0 steps PRESSURE: 78900 0 0 0 0 0 0 0 0 0 GPRESSURE: 78900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78900 234.5338 692.3521 406.8690 47.0122 -1746.0494 -293.9576 0.0000 0.0000 954.2328 294.9929 313.7483 306.5099 308.7019 313.7483 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 78950 TCL: Running for 0 steps PRESSURE: 78950 0 0 0 0 0 0 0 0 0 GPRESSURE: 78950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 78950 235.5018 706.6159 379.6118 42.6576 -1729.0073 -303.4594 0.0000 0.0000 948.9415 280.8619 312.0085 292.5889 293.8564 312.0085 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79000 TCL: Running for 0 steps PRESSURE: 79000 0 0 0 0 0 0 0 0 0 GPRESSURE: 79000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79000 241.1592 753.5160 377.3217 38.3464 -1734.7323 -309.8936 0.0000 0.0000 955.6287 321.3461 314.2073 333.5396 332.9784 314.2073 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79050 TCL: Running for 0 steps PRESSURE: 79050 0 0 0 0 0 0 0 0 0 GPRESSURE: 79050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79050 240.2441 699.8644 395.8613 45.5301 -1757.0280 -294.7622 0.0000 0.0000 952.3178 282.0275 313.1187 293.6533 295.2561 313.1187 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79100 TCL: Running for 0 steps PRESSURE: 79100 0 0 0 0 0 0 0 0 0 GPRESSURE: 79100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79100 239.5449 703.9261 382.1520 45.0867 -1774.0903 -293.7657 0.0000 0.0000 951.7133 254.5670 312.9199 265.9935 268.2433 312.9199 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79150 TCL: Running for 0 steps PRESSURE: 79150 0 0 0 0 0 0 0 0 0 GPRESSURE: 79150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79150 243.8470 749.8357 403.4840 42.5876 -1772.3900 -295.1976 0.0000 0.0000 959.0126 331.1794 315.3199 344.1478 340.4753 315.3199 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79200 TCL: Running for 0 steps PRESSURE: 79200 0 0 0 0 0 0 0 0 0 GPRESSURE: 79200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79200 243.1286 686.7204 381.5486 39.6234 -1762.3616 -284.2127 0.0000 0.0000 952.4546 256.9013 313.1636 268.8002 269.3678 313.1636 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79250 TCL: Running for 0 steps PRESSURE: 79250 0 0 0 0 0 0 0 0 0 GPRESSURE: 79250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79250 239.9768 714.8126 385.4486 40.7652 -1783.1446 -284.6301 0.0000 0.0000 950.0456 263.2742 312.3716 275.5687 274.6174 312.3716 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79300 TCL: Running for 0 steps PRESSURE: 79300 0 0 0 0 0 0 0 0 0 GPRESSURE: 79300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79300 250.3623 716.9825 375.5330 33.3280 -1745.3379 -268.4141 0.0000 0.0000 949.6021 312.0557 312.2258 324.5774 322.8334 312.2258 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79350 TCL: Running for 0 steps PRESSURE: 79350 0 0 0 0 0 0 0 0 0 GPRESSURE: 79350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79350 244.7168 737.6679 387.8020 32.5841 -1756.8694 -302.5189 0.0000 0.0000 953.5193 296.9019 313.5137 309.0899 308.7061 313.5137 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79400 TCL: Running for 0 steps PRESSURE: 79400 0 0 0 0 0 0 0 0 0 GPRESSURE: 79400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79400 244.5961 736.7109 378.6626 42.1266 -1778.1359 -290.9172 0.0000 0.0000 953.0547 286.0978 313.3609 298.1371 298.3352 313.3609 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79450 TCL: Running for 0 steps PRESSURE: 79450 0 0 0 0 0 0 0 0 0 GPRESSURE: 79450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79450 221.3173 775.5267 391.3319 34.7991 -1803.6551 -281.9425 0.0000 0.0000 951.5932 288.9706 312.8804 301.2469 300.5436 312.8804 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79500 TCL: Running for 0 steps PRESSURE: 79500 0 0 0 0 0 0 0 0 0 GPRESSURE: 79500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79500 247.6101 707.1923 390.3747 50.8351 -1750.9562 -294.7874 0.0000 0.0000 953.8842 304.1529 313.6337 316.3509 315.9853 313.6337 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79550 TCL: Running for 0 steps PRESSURE: 79550 0 0 0 0 0 0 0 0 0 GPRESSURE: 79550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79550 233.4611 700.5222 408.6011 38.0981 -1728.2037 -293.3552 0.0000 0.0000 953.8127 312.9361 313.6102 325.0782 324.9452 313.6102 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79600 TCL: Running for 0 steps PRESSURE: 79600 0 0 0 0 0 0 0 0 0 GPRESSURE: 79600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79600 253.6369 707.2280 386.2018 40.6700 -1765.9241 -298.1511 0.0000 0.0000 950.7364 274.3979 312.5987 286.3175 287.0270 312.5987 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79650 TCL: Running for 0 steps PRESSURE: 79650 0 0 0 0 0 0 0 0 0 GPRESSURE: 79650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79650 220.3989 705.9342 391.2929 38.1823 -1738.1565 -291.2950 0.0000 0.0000 958.7615 285.1181 315.2373 296.7205 298.5753 315.2373 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79700 TCL: Running for 0 steps PRESSURE: 79700 0 0 0 0 0 0 0 0 0 GPRESSURE: 79700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79700 233.3723 715.9166 394.5104 46.9356 -1756.6882 -282.9746 0.0000 0.0000 963.0590 314.1311 316.6503 326.0049 326.7259 316.6503 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79750 TCL: Running for 0 steps PRESSURE: 79750 0 0 0 0 0 0 0 0 0 GPRESSURE: 79750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79750 226.9297 707.4829 394.3590 37.1256 -1755.4289 -292.2185 0.0000 0.0000 960.0058 278.2558 315.6465 289.9911 291.1864 315.6465 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79800 TCL: Running for 0 steps PRESSURE: 79800 0 0 0 0 0 0 0 0 0 GPRESSURE: 79800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79800 225.4244 737.7885 388.6968 45.3271 -1744.1622 -285.4445 0.0000 0.0000 951.1275 318.7575 312.7273 331.0007 330.2167 312.7273 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79850 TCL: Running for 0 steps PRESSURE: 79850 0 0 0 0 0 0 0 0 0 GPRESSURE: 79850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79850 243.9730 717.3338 375.3802 37.8051 -1728.8707 -303.6639 0.0000 0.0000 947.1870 289.1445 311.4317 300.5640 302.9178 311.4317 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79900 TCL: Running for 0 steps PRESSURE: 79900 0 0 0 0 0 0 0 0 0 GPRESSURE: 79900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79900 234.1603 702.1504 391.0355 43.3255 -1737.5360 -270.4490 0.0000 0.0000 948.8866 311.5733 311.9905 323.0488 325.0457 311.9905 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 79950 TCL: Running for 0 steps PRESSURE: 79950 0 0 0 0 0 0 0 0 0 GPRESSURE: 79950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 79950 259.7958 723.3559 384.7328 38.9295 -1732.5119 -295.0377 0.0000 0.0000 951.5268 330.7913 312.8586 343.1590 341.6850 312.8586 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80000 TCL: Running for 0 steps PRESSURE: 80000 0 0 0 0 0 0 0 0 0 GPRESSURE: 80000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80000 231.6031 712.4205 400.6069 46.4106 -1721.3122 -289.8908 0.0000 0.0000 955.7828 335.6208 314.2579 347.6920 347.4223 314.2579 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80050 TCL: Running for 0 steps PRESSURE: 80050 0 0 0 0 0 0 0 0 0 GPRESSURE: 80050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80050 250.2973 688.1223 370.1856 42.7698 -1724.2988 -302.3867 0.0000 0.0000 953.6607 278.3502 313.5602 290.2860 290.5409 313.5602 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80100 TCL: Running for 0 steps PRESSURE: 80100 0 0 0 0 0 0 0 0 0 GPRESSURE: 80100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80100 248.1422 702.1997 388.8474 42.0360 -1710.2712 -293.5170 0.0000 0.0000 955.1429 332.5801 314.0476 344.4966 344.8079 314.0476 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80150 TCL: Running for 0 steps PRESSURE: 80150 0 0 0 0 0 0 0 0 0 GPRESSURE: 80150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80150 220.8940 743.7740 373.4021 48.6601 -1734.5279 -281.0051 0.0000 0.0000 947.3086 318.5060 311.4717 330.7473 329.8211 311.4717 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80200 TCL: Running for 0 steps PRESSURE: 80200 0 0 0 0 0 0 0 0 0 GPRESSURE: 80200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80200 242.8350 721.6752 363.8683 35.1565 -1705.7186 -267.9243 0.0000 0.0000 951.1265 341.0186 312.7270 353.0801 352.8861 312.7270 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80250 TCL: Running for 0 steps PRESSURE: 80250 0 0 0 0 0 0 0 0 0 GPRESSURE: 80250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80250 245.0570 715.0085 390.7168 43.9391 -1697.2448 -321.5555 0.0000 0.0000 955.1029 331.0239 314.0344 342.9782 343.1985 314.0344 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80300 TCL: Running for 0 steps PRESSURE: 80300 0 0 0 0 0 0 0 0 0 GPRESSURE: 80300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80300 240.0220 732.3520 389.0500 43.1586 -1762.0231 -286.1385 0.0000 0.0000 956.3811 312.8022 314.4547 324.7868 324.8793 314.4547 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80350 TCL: Running for 0 steps PRESSURE: 80350 0 0 0 0 0 0 0 0 0 GPRESSURE: 80350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80350 251.3669 754.8670 381.1248 34.8567 -1763.0092 -274.5604 0.0000 0.0000 952.1717 336.8176 313.0706 349.4016 347.2406 313.0706 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80400 TCL: Running for 0 steps PRESSURE: 80400 0 0 0 0 0 0 0 0 0 GPRESSURE: 80400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80400 218.3028 718.5442 366.0204 41.4416 -1763.4140 -306.9571 0.0000 0.0000 947.9182 221.8561 311.6721 233.7580 234.2902 311.6721 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80450 TCL: Running for 0 steps PRESSURE: 80450 0 0 0 0 0 0 0 0 0 GPRESSURE: 80450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80450 251.0041 690.9189 381.8170 33.2658 -1780.2505 -286.5114 0.0000 0.0000 954.2855 244.5295 313.7656 256.4812 256.7930 313.7656 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80500 TCL: Running for 0 steps PRESSURE: 80500 0 0 0 0 0 0 0 0 0 GPRESSURE: 80500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80500 254.0148 726.5024 388.1220 42.4273 -1779.9217 -301.5735 0.0000 0.0000 951.6472 281.2185 312.8982 293.5997 292.2817 312.8982 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80550 TCL: Running for 0 steps PRESSURE: 80550 0 0 0 0 0 0 0 0 0 GPRESSURE: 80550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80550 241.8335 733.7640 395.3252 38.2160 -1807.7619 -287.3068 0.0000 0.0000 951.5394 265.6093 312.8627 277.5121 278.0705 312.8627 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80600 TCL: Running for 0 steps PRESSURE: 80600 0 0 0 0 0 0 0 0 0 GPRESSURE: 80600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80600 228.2870 737.2942 384.5565 43.1241 -1783.8624 -297.0551 0.0000 0.0000 949.6482 261.9926 312.2409 274.0432 274.0126 312.2409 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80650 TCL: Running for 0 steps PRESSURE: 80650 0 0 0 0 0 0 0 0 0 GPRESSURE: 80650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80650 252.5762 707.9935 396.1216 46.1989 -1794.0014 -297.0520 0.0000 0.0000 950.0230 261.8599 312.3642 273.7099 274.4332 312.3642 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80700 TCL: Running for 0 steps PRESSURE: 80700 0 0 0 0 0 0 0 0 0 GPRESSURE: 80700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80700 210.4588 728.8480 374.2320 33.7318 -1799.6871 -268.7448 0.0000 0.0000 949.3292 228.1679 312.1360 239.7920 241.3173 312.1360 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80750 TCL: Running for 0 steps PRESSURE: 80750 0 0 0 0 0 0 0 0 0 GPRESSURE: 80750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80750 230.7830 726.1320 391.2191 42.9685 -1739.1992 -294.5848 0.0000 0.0000 947.9359 305.2545 311.6779 317.4669 316.6909 311.6779 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80800 TCL: Running for 0 steps PRESSURE: 80800 0 0 0 0 0 0 0 0 0 GPRESSURE: 80800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80800 233.4859 733.1234 386.3696 35.6221 -1769.5989 -292.3152 0.0000 0.0000 948.6830 275.3699 311.9236 287.3092 287.6058 311.9236 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80850 TCL: Running for 0 steps PRESSURE: 80850 0 0 0 0 0 0 0 0 0 GPRESSURE: 80850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80850 234.0008 721.1980 389.6030 41.7453 -1776.7357 -284.3918 0.0000 0.0000 955.0135 280.4331 314.0050 292.4573 292.4167 314.0050 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80900 TCL: Running for 0 steps PRESSURE: 80900 0 0 0 0 0 0 0 0 0 GPRESSURE: 80900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80900 237.7719 740.3886 371.7838 46.3960 -1796.6739 -297.4057 0.0000 0.0000 944.0436 246.3043 310.3981 258.9012 256.7155 310.3981 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 80950 TCL: Running for 0 steps PRESSURE: 80950 0 0 0 0 0 0 0 0 0 GPRESSURE: 80950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 80950 218.6606 714.6409 375.6721 41.0677 -1762.4299 -293.3664 0.0000 0.0000 948.5917 242.8366 311.8935 255.0017 254.5717 311.8935 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81000 TCL: Running for 0 steps PRESSURE: 81000 0 0 0 0 0 0 0 0 0 GPRESSURE: 81000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81000 231.9923 707.2593 387.6316 41.2920 -1784.4334 -282.9451 0.0000 0.0000 946.9670 247.7636 311.3593 259.7547 260.0046 311.3593 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81050 TCL: Running for 0 steps PRESSURE: 81050 0 0 0 0 0 0 0 0 0 GPRESSURE: 81050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81050 234.4234 710.5335 375.0846 42.5739 -1767.6146 -276.5116 0.0000 0.0000 949.0778 267.5669 312.0534 279.6937 279.4189 312.0534 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81100 TCL: Running for 0 steps PRESSURE: 81100 0 0 0 0 0 0 0 0 0 GPRESSURE: 81100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81100 229.1215 736.6645 376.4929 34.4801 -1766.3108 -300.9598 0.0000 0.0000 945.0786 254.5670 310.7384 266.6532 266.5478 310.7384 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81150 TCL: Running for 0 steps PRESSURE: 81150 0 0 0 0 0 0 0 0 0 GPRESSURE: 81150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81150 230.5567 727.6894 379.2034 42.2328 -1738.2155 -281.6453 0.0000 0.0000 945.3976 305.2189 310.8433 317.2308 317.4107 310.8433 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81200 TCL: Running for 0 steps PRESSURE: 81200 0 0 0 0 0 0 0 0 0 GPRESSURE: 81200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81200 235.7430 676.3110 385.0412 43.5867 -1739.4176 -307.8378 0.0000 0.0000 950.3883 243.8148 312.4842 255.0076 258.2478 312.4842 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81250 TCL: Running for 0 steps PRESSURE: 81250 0 0 0 0 0 0 0 0 0 GPRESSURE: 81250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81250 229.9987 725.1087 376.2935 34.7206 -1779.3523 -291.2631 0.0000 0.0000 946.5512 242.0572 311.2226 254.1424 253.8335 311.2226 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81300 TCL: Running for 0 steps PRESSURE: 81300 0 0 0 0 0 0 0 0 0 GPRESSURE: 81300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81300 235.0385 711.2540 382.4683 41.9042 -1805.7209 -301.1824 0.0000 0.0000 946.0818 209.8435 311.0683 221.3589 223.2060 311.0683 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81350 TCL: Running for 0 steps PRESSURE: 81350 0 0 0 0 0 0 0 0 0 GPRESSURE: 81350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81350 264.5326 684.3650 369.9164 41.5664 -1785.7808 -286.2306 0.0000 0.0000 949.8921 238.2611 312.3211 250.0979 250.6244 312.3211 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81400 TCL: Running for 0 steps PRESSURE: 81400 0 0 0 0 0 0 0 0 0 GPRESSURE: 81400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81400 261.2522 733.7154 385.6066 44.7781 -1791.6908 -294.9656 0.0000 0.0000 946.3448 285.0407 311.1548 297.4566 295.7788 311.1548 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81450 TCL: Running for 0 steps PRESSURE: 81450 0 0 0 0 0 0 0 0 0 GPRESSURE: 81450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81450 231.7862 743.9001 383.5661 34.0684 -1760.3088 -291.9166 0.0000 0.0000 949.6760 290.7715 312.2500 303.1870 301.6152 312.2500 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81500 TCL: Running for 0 steps PRESSURE: 81500 0 0 0 0 0 0 0 0 0 GPRESSURE: 81500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81500 211.4132 717.7011 378.5459 41.2486 -1764.2837 -304.7552 0.0000 0.0000 949.7568 229.6267 312.2766 241.3679 242.4232 312.2766 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81550 TCL: Running for 0 steps PRESSURE: 81550 0 0 0 0 0 0 0 0 0 GPRESSURE: 81550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81550 233.1695 705.5084 383.3695 44.2766 -1741.1969 -278.8508 0.0000 0.0000 943.9262 290.2025 310.3595 302.6717 300.9310 310.3595 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81600 TCL: Running for 0 steps PRESSURE: 81600 0 0 0 0 0 0 0 0 0 GPRESSURE: 81600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81600 227.5958 703.0434 385.8898 47.7606 -1784.3786 -289.8466 0.0000 0.0000 944.1492 234.2136 310.4329 245.8127 247.4435 310.4329 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81650 TCL: Running for 0 steps PRESSURE: 81650 0 0 0 0 0 0 0 0 0 GPRESSURE: 81650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81650 240.6395 714.2480 369.1080 37.0224 -1766.8325 -281.5035 0.0000 0.0000 944.0552 256.7371 310.4020 268.6995 268.8664 310.4020 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81700 TCL: Running for 0 steps PRESSURE: 81700 0 0 0 0 0 0 0 0 0 GPRESSURE: 81700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81700 255.2255 748.8028 386.8059 40.5038 -1747.0317 -305.5311 0.0000 0.0000 948.7511 327.5263 311.9459 340.2908 337.4392 311.9459 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81750 TCL: Running for 0 steps PRESSURE: 81750 0 0 0 0 0 0 0 0 0 GPRESSURE: 81750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81750 238.9996 726.9334 393.4498 34.5275 -1747.2343 -304.8001 0.0000 0.0000 941.7284 283.6043 309.6369 295.4537 296.2119 309.6369 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81800 TCL: Running for 0 steps PRESSURE: 81800 0 0 0 0 0 0 0 0 0 GPRESSURE: 81800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81800 236.7591 697.8499 388.2892 32.8842 -1734.0017 -310.9876 0.0000 0.0000 947.6596 258.4526 311.5871 270.1401 271.4583 311.5871 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81850 TCL: Running for 0 steps PRESSURE: 81850 0 0 0 0 0 0 0 0 0 GPRESSURE: 81850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81850 247.0880 685.2269 393.2553 41.1559 -1747.0083 -282.9721 0.0000 0.0000 948.3100 285.0557 311.8009 296.8236 297.7577 311.8009 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81900 TCL: Running for 0 steps PRESSURE: 81900 0 0 0 0 0 0 0 0 0 GPRESSURE: 81900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81900 242.3904 717.2312 386.4188 41.7275 -1773.0809 -307.5675 0.0000 0.0000 952.2596 259.3792 313.0995 270.7740 273.0488 313.0995 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 81950 TCL: Running for 0 steps PRESSURE: 81950 0 0 0 0 0 0 0 0 0 GPRESSURE: 81950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 81950 252.4923 732.3179 384.4460 44.7862 -1765.6465 -304.1658 0.0000 0.0000 951.3805 295.6107 312.8105 307.9093 306.6527 312.8105 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82000 TCL: Running for 0 steps PRESSURE: 82000 0 0 0 0 0 0 0 0 0 GPRESSURE: 82000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82000 223.5091 722.0363 389.9887 39.5550 -1726.3377 -310.6752 0.0000 0.0000 951.4211 289.4973 312.8238 301.7814 300.6577 312.8238 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82050 TCL: Running for 0 steps PRESSURE: 82050 0 0 0 0 0 0 0 0 0 GPRESSURE: 82050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82050 242.6156 706.4276 397.5852 42.6338 -1720.5551 -309.9713 0.0000 0.0000 947.1307 305.8665 311.4132 318.2025 316.9543 311.4132 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82100 TCL: Running for 0 steps PRESSURE: 82100 0 0 0 0 0 0 0 0 0 GPRESSURE: 82100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82100 229.4987 703.6033 387.2920 35.3797 -1751.8933 -281.5337 0.0000 0.0000 948.7776 271.1243 311.9547 283.3206 282.6745 311.9547 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82150 TCL: Running for 0 steps PRESSURE: 82150 0 0 0 0 0 0 0 0 0 GPRESSURE: 82150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82150 251.8448 697.2336 374.1389 50.2534 -1759.1400 -303.1957 0.0000 0.0000 946.4325 257.5674 311.1836 269.6065 269.5902 311.1836 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82200 TCL: Running for 0 steps PRESSURE: 82200 0 0 0 0 0 0 0 0 0 GPRESSURE: 82200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82200 225.2340 707.3797 390.3969 48.5153 -1765.7709 -290.3108 0.0000 0.0000 952.1204 267.5647 313.0538 279.3476 280.2931 313.0538 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82250 TCL: Running for 0 steps PRESSURE: 82250 0 0 0 0 0 0 0 0 0 GPRESSURE: 82250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82250 233.3693 700.0126 390.8384 51.2663 -1716.9784 -320.4164 0.0000 0.0000 948.0524 286.1442 311.7162 297.9922 298.6342 311.7162 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82300 TCL: Running for 0 steps PRESSURE: 82300 0 0 0 0 0 0 0 0 0 GPRESSURE: 82300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82300 231.3918 722.4344 391.2006 46.3878 -1726.0926 -300.2754 0.0000 0.0000 948.5120 313.5585 311.8673 326.0367 324.2757 311.8673 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82350 TCL: Running for 0 steps PRESSURE: 82350 0 0 0 0 0 0 0 0 0 GPRESSURE: 82350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82350 229.5615 689.5906 386.8379 42.0810 -1726.7759 -297.0500 0.0000 0.0000 945.2109 269.4561 310.7820 281.1439 282.4567 310.7820 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82400 TCL: Running for 0 steps PRESSURE: 82400 0 0 0 0 0 0 0 0 0 GPRESSURE: 82400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82400 219.5283 707.4077 399.9755 49.9868 -1747.0187 -282.8878 0.0000 0.0000 946.8397 293.8315 311.3175 305.6857 306.2923 311.3175 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82450 TCL: Running for 0 steps PRESSURE: 82450 0 0 0 0 0 0 0 0 0 GPRESSURE: 82450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82450 224.8874 701.3792 384.5902 42.3822 -1762.1057 -279.1279 0.0000 0.0000 944.1892 256.1947 310.4460 268.0922 268.4987 310.4460 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82500 TCL: Running for 0 steps PRESSURE: 82500 0 0 0 0 0 0 0 0 0 GPRESSURE: 82500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82500 248.6866 659.3919 383.9581 46.8074 -1711.7053 -315.5069 0.0000 0.0000 945.1001 256.7319 310.7455 267.9653 270.8369 310.7455 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82550 TCL: Running for 0 steps PRESSURE: 82550 0 0 0 0 0 0 0 0 0 GPRESSURE: 82550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82550 228.5308 726.8799 382.5618 34.3937 -1784.0819 -290.0241 0.0000 0.0000 950.5726 248.8328 312.5449 260.3175 262.0672 312.5449 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82600 TCL: Running for 0 steps PRESSURE: 82600 0 0 0 0 0 0 0 0 0 GPRESSURE: 82600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82600 230.9902 712.4322 385.9698 42.4649 -1716.9916 -290.5658 0.0000 0.0000 944.6963 308.9961 310.6127 320.8936 320.9860 310.6127 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82650 TCL: Running for 0 steps PRESSURE: 82650 0 0 0 0 0 0 0 0 0 GPRESSURE: 82650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82650 224.1143 704.0369 380.1127 51.6115 -1730.0126 -274.6193 0.0000 0.0000 945.1109 300.3544 310.7491 312.0611 312.8632 310.7491 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82700 TCL: Running for 0 steps PRESSURE: 82700 0 0 0 0 0 0 0 0 0 GPRESSURE: 82700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82700 256.5814 722.9556 383.5408 45.3441 -1764.3446 -290.4007 0.0000 0.0000 946.7226 300.3991 311.2790 312.6810 311.2760 311.2790 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82750 TCL: Running for 0 steps PRESSURE: 82750 0 0 0 0 0 0 0 0 0 GPRESSURE: 82750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82750 237.3031 719.2240 387.9095 46.2676 -1733.6655 -300.3710 0.0000 0.0000 943.2572 299.9248 310.1396 311.9430 311.6146 310.1396 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82800 TCL: Running for 0 steps PRESSURE: 82800 0 0 0 0 0 0 0 0 0 GPRESSURE: 82800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82800 239.3239 741.4965 393.1404 45.4323 -1735.6865 -310.6302 0.0000 0.0000 947.5639 320.6403 311.5556 332.5254 332.7167 311.5556 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82850 TCL: Running for 0 steps PRESSURE: 82850 0 0 0 0 0 0 0 0 0 GPRESSURE: 82850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82850 231.1046 647.7320 392.1408 34.6101 -1736.3226 -295.9448 0.0000 0.0000 946.7369 220.0570 311.2837 231.2030 234.1542 311.2837 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82900 TCL: Running for 0 steps PRESSURE: 82900 0 0 0 0 0 0 0 0 0 GPRESSURE: 82900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82900 226.8076 689.9906 396.2963 37.5069 -1740.1082 -301.4835 0.0000 0.0000 946.1862 255.1960 311.1026 266.3828 268.9961 311.1026 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 82950 TCL: Running for 0 steps PRESSURE: 82950 0 0 0 0 0 0 0 0 0 GPRESSURE: 82950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 82950 221.5331 682.6724 380.7888 41.3439 -1722.7062 -268.6883 0.0000 0.0000 945.7602 280.7039 310.9626 292.4993 292.6670 310.9626 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83000 TCL: Running for 0 steps PRESSURE: 83000 0 0 0 0 0 0 0 0 0 GPRESSURE: 83000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83000 219.5240 690.9292 380.6833 44.5235 -1709.9470 -273.9044 0.0000 0.0000 944.4095 296.2182 310.5185 307.9292 308.4030 310.5185 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83050 TCL: Running for 0 steps PRESSURE: 83050 0 0 0 0 0 0 0 0 0 GPRESSURE: 83050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83050 250.0019 695.4072 380.4635 35.3354 -1725.2081 -292.1582 0.0000 0.0000 947.0621 290.9038 311.3906 302.4370 303.5481 311.3906 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83100 TCL: Running for 0 steps PRESSURE: 83100 0 0 0 0 0 0 0 0 0 GPRESSURE: 83100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83100 229.4645 715.9602 387.9335 35.2926 -1716.3828 -294.0303 0.0000 0.0000 947.2330 305.4707 311.4468 317.8443 315.7344 311.4468 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83150 TCL: Running for 0 steps PRESSURE: 83150 0 0 0 0 0 0 0 0 0 GPRESSURE: 83150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83150 246.3255 706.0861 397.9562 46.7556 -1759.7133 -293.7207 0.0000 0.0000 949.0288 292.7182 312.0372 305.0660 303.1847 312.0372 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83200 TCL: Running for 0 steps PRESSURE: 83200 0 0 0 0 0 0 0 0 0 GPRESSURE: 83200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83200 226.9137 700.7184 389.1652 45.2284 -1749.4582 -284.3579 0.0000 0.0000 948.2763 276.4859 311.7898 288.2077 288.7914 311.7898 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83250 TCL: Running for 0 steps PRESSURE: 83250 0 0 0 0 0 0 0 0 0 GPRESSURE: 83250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83250 247.7617 670.4931 380.5827 33.7318 -1768.4852 -260.6759 0.0000 0.0000 948.3869 251.7952 311.8262 263.7455 263.4362 311.8262 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83300 TCL: Running for 0 steps PRESSURE: 83300 0 0 0 0 0 0 0 0 0 GPRESSURE: 83300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83300 254.9630 685.8206 381.1970 39.6192 -1755.8473 -270.3513 0.0000 0.0000 948.2477 283.6489 311.7804 295.0840 296.7257 311.7804 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83350 TCL: Running for 0 steps PRESSURE: 83350 0 0 0 0 0 0 0 0 0 GPRESSURE: 83350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83350 244.6325 678.7851 390.5136 44.1775 -1754.2632 -287.3417 0.0000 0.0000 945.9083 262.4122 311.0112 274.0504 274.8280 311.0112 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83400 TCL: Running for 0 steps PRESSURE: 83400 0 0 0 0 0 0 0 0 0 GPRESSURE: 83400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83400 239.2416 704.3606 385.8441 41.9328 -1765.0145 -278.0427 0.0000 0.0000 945.9991 274.3209 311.0411 286.2780 285.8111 311.0411 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83450 TCL: Running for 0 steps PRESSURE: 83450 0 0 0 0 0 0 0 0 0 GPRESSURE: 83450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83450 257.2789 682.5432 390.3369 30.6061 -1747.9786 -294.0081 0.0000 0.0000 949.5518 268.3301 312.2092 279.4222 282.2282 312.2092 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83500 TCL: Running for 0 steps PRESSURE: 83500 0 0 0 0 0 0 0 0 0 GPRESSURE: 83500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83500 255.4612 701.9156 381.7848 35.9155 -1777.5084 -282.6692 0.0000 0.0000 946.0718 260.9713 311.0650 273.2084 271.5453 311.0650 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83550 TCL: Running for 0 steps PRESSURE: 83550 0 0 0 0 0 0 0 0 0 GPRESSURE: 83550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83550 240.5104 708.3260 394.0871 39.5401 -1762.0872 -300.6651 0.0000 0.0000 950.3702 270.0814 312.4783 281.8312 282.0993 312.4783 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83600 TCL: Running for 0 steps PRESSURE: 83600 0 0 0 0 0 0 0 0 0 GPRESSURE: 83600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83600 234.9427 669.2750 398.6075 48.0538 -1761.8263 -284.2326 0.0000 0.0000 955.1148 259.9350 314.0383 271.5781 272.2297 314.0383 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83650 TCL: Running for 0 steps PRESSURE: 83650 0 0 0 0 0 0 0 0 0 GPRESSURE: 83650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83650 221.7849 695.3230 385.2594 40.7124 -1733.6449 -279.4008 0.0000 0.0000 952.6981 282.7321 313.2437 294.1333 295.6512 313.2437 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83700 TCL: Running for 0 steps PRESSURE: 83700 0 0 0 0 0 0 0 0 0 GPRESSURE: 83700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83700 246.1579 709.5220 389.6654 40.1163 -1766.8382 -299.6428 0.0000 0.0000 947.1501 266.1307 311.4195 278.0425 277.5507 311.4195 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83750 TCL: Running for 0 steps PRESSURE: 83750 0 0 0 0 0 0 0 0 0 GPRESSURE: 83750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83750 220.2809 707.9274 382.2426 37.0153 -1735.4991 -294.8384 0.0000 0.0000 947.7720 264.9008 311.6240 276.5835 276.9817 311.6240 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83800 TCL: Running for 0 steps PRESSURE: 83800 0 0 0 0 0 0 0 0 0 GPRESSURE: 83800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83800 231.0312 712.3381 373.2175 38.6028 -1731.9536 -290.9238 0.0000 0.0000 940.7128 273.0250 309.3030 285.3260 283.3808 309.3030 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83850 TCL: Running for 0 steps PRESSURE: 83850 0 0 0 0 0 0 0 0 0 GPRESSURE: 83850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83850 261.2666 694.3923 386.9126 39.1305 -1759.2913 -278.6464 0.0000 0.0000 951.9985 295.7629 313.0137 308.2695 305.6747 313.0137 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83900 TCL: Running for 0 steps PRESSURE: 83900 0 0 0 0 0 0 0 0 0 GPRESSURE: 83900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83900 250.3511 717.6210 381.2348 44.9719 -1765.6041 -280.2940 0.0000 0.0000 949.1902 297.4708 312.0903 309.7365 308.2071 312.0903 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 83950 TCL: Running for 0 steps PRESSURE: 83950 0 0 0 0 0 0 0 0 0 GPRESSURE: 83950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 83950 231.4463 688.7668 390.5656 42.9536 -1767.2924 -290.9602 0.0000 0.0000 948.8388 244.3185 311.9748 255.6483 257.7244 311.9748 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84000 TCL: Running for 0 steps PRESSURE: 84000 0 0 0 0 0 0 0 0 0 GPRESSURE: 84000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84000 205.3281 710.7275 379.7106 37.0662 -1792.4198 -301.4793 0.0000 0.0000 953.4274 192.3606 313.4835 203.2685 206.7971 313.4835 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84050 TCL: Running for 0 steps PRESSURE: 84050 0 0 0 0 0 0 0 0 0 GPRESSURE: 84050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84050 226.0369 697.6576 381.6484 38.4647 -1815.6184 -282.3443 0.0000 0.0000 943.1473 188.9922 310.1034 200.3390 202.0009 310.1034 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84100 TCL: Running for 0 steps PRESSURE: 84100 0 0 0 0 0 0 0 0 0 GPRESSURE: 84100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84100 235.8271 731.5264 391.6014 48.0175 -1800.1854 -286.3746 0.0000 0.0000 948.9798 269.3921 312.0211 281.3829 280.5263 312.0211 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84150 TCL: Running for 0 steps PRESSURE: 84150 0 0 0 0 0 0 0 0 0 GPRESSURE: 84150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84150 233.4096 720.6097 391.6690 42.6492 -1777.0601 -270.0666 0.0000 0.0000 947.9150 289.1258 311.6711 301.5176 299.2104 311.6711 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84200 TCL: Running for 0 steps PRESSURE: 84200 0 0 0 0 0 0 0 0 0 GPRESSURE: 84200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84200 234.5074 735.5321 375.6091 46.2623 -1753.9997 -293.6346 0.0000 0.0000 950.1047 294.3813 312.3910 306.5902 305.1131 312.3910 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84250 TCL: Running for 0 steps PRESSURE: 84250 0 0 0 0 0 0 0 0 0 GPRESSURE: 84250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84250 240.9883 728.9015 384.7076 41.5862 -1759.6054 -291.3567 0.0000 0.0000 952.0862 297.3078 313.0425 309.7923 307.3742 313.0425 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84300 TCL: Running for 0 steps PRESSURE: 84300 0 0 0 0 0 0 0 0 0 GPRESSURE: 84300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84300 251.4770 730.5192 375.7222 39.5271 -1767.8489 -277.8160 0.0000 0.0000 948.7736 300.3542 311.9534 312.7016 310.9485 311.9534 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84350 TCL: Running for 0 steps PRESSURE: 84350 0 0 0 0 0 0 0 0 0 GPRESSURE: 84350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84350 279.7158 699.6564 375.6023 44.0205 -1784.8889 -282.3012 0.0000 0.0000 950.2690 282.0739 312.4450 293.8316 294.3997 312.4450 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84400 TCL: Running for 0 steps PRESSURE: 84400 0 0 0 0 0 0 0 0 0 GPRESSURE: 84400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84400 250.1071 728.0245 386.8279 38.3145 -1757.4300 -291.9488 0.0000 0.0000 956.1961 310.0913 314.3938 322.6372 320.2141 314.3938 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84450 TCL: Running for 0 steps PRESSURE: 84450 0 0 0 0 0 0 0 0 0 GPRESSURE: 84450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84450 241.9518 727.1685 377.3976 39.3878 -1736.1566 -306.1754 0.0000 0.0000 953.4010 296.9747 313.4748 309.2771 307.9183 313.4748 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84500 TCL: Running for 0 steps PRESSURE: 84500 0 0 0 0 0 0 0 0 0 GPRESSURE: 84500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84500 251.5033 721.2102 384.3079 47.6767 -1758.8515 -322.1367 0.0000 0.0000 949.5509 273.2608 312.2089 285.6546 284.0381 312.2089 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84550 TCL: Running for 0 steps PRESSURE: 84550 0 0 0 0 0 0 0 0 0 GPRESSURE: 84550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84550 213.5472 742.5344 380.8728 38.7537 -1745.1495 -294.3254 0.0000 0.0000 954.5190 290.7521 313.8424 303.0601 301.8666 313.8424 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84600 TCL: Running for 0 steps PRESSURE: 84600 0 0 0 0 0 0 0 0 0 GPRESSURE: 84600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84600 236.6545 733.2994 381.7042 38.6300 -1751.2701 -309.5552 0.0000 0.0000 954.8665 284.3293 313.9567 296.6637 295.4455 313.9567 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84650 TCL: Running for 0 steps PRESSURE: 84650 0 0 0 0 0 0 0 0 0 GPRESSURE: 84650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84650 222.7117 677.8858 395.0696 41.7336 -1736.2619 -301.7469 0.0000 0.0000 948.6362 248.0281 311.9082 259.4201 261.8120 311.9082 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84700 TCL: Running for 0 steps PRESSURE: 84700 0 0 0 0 0 0 0 0 0 GPRESSURE: 84700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84700 232.0520 723.4423 378.0978 39.3031 -1771.4760 -291.4867 0.0000 0.0000 949.4479 259.3804 312.1751 271.2052 271.8248 312.1751 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84750 TCL: Running for 0 steps PRESSURE: 84750 0 0 0 0 0 0 0 0 0 GPRESSURE: 84750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84750 243.4444 686.6615 383.1483 33.4336 -1748.7235 -306.4585 0.0000 0.0000 944.1860 235.6917 310.4450 247.3836 248.4630 310.4450 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84800 TCL: Running for 0 steps PRESSURE: 84800 0 0 0 0 0 0 0 0 0 GPRESSURE: 84800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84800 240.0169 670.5005 387.1228 48.4390 -1773.7919 -274.8832 0.0000 0.0000 950.9128 248.3169 312.6567 259.7027 261.8625 312.6567 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84850 TCL: Running for 0 steps PRESSURE: 84850 0 0 0 0 0 0 0 0 0 GPRESSURE: 84850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84850 239.1426 691.9193 375.1878 45.2389 -1727.3308 -309.9553 0.0000 0.0000 949.9535 264.1561 312.3413 275.8426 276.7397 312.3413 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84900 TCL: Running for 0 steps PRESSURE: 84900 0 0 0 0 0 0 0 0 0 GPRESSURE: 84900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84900 231.7684 688.5246 379.5529 33.0048 -1746.1937 -302.7833 0.0000 0.0000 948.0865 231.9602 311.7274 243.1510 245.8508 311.7274 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 84950 TCL: Running for 0 steps PRESSURE: 84950 0 0 0 0 0 0 0 0 0 GPRESSURE: 84950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 84950 227.8003 705.0345 385.2391 44.0632 -1721.7712 -299.9289 0.0000 0.0000 941.7062 282.1430 309.6296 293.8587 294.4215 309.6296 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85000 TCL: Running for 0 steps PRESSURE: 85000 0 0 0 0 0 0 0 0 0 GPRESSURE: 85000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85000 241.5603 740.4300 387.0861 42.0690 -1741.6131 -281.0467 0.0000 0.0000 935.9369 324.4224 307.7327 336.8471 334.7159 307.7327 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85050 TCL: Running for 0 steps PRESSURE: 85050 0 0 0 0 0 0 0 0 0 GPRESSURE: 85050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85050 231.0303 705.1488 375.0748 43.7995 -1741.9090 -279.5370 0.0000 0.0000 942.7046 276.3120 309.9579 287.7434 289.4703 309.9579 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85100 TCL: Running for 0 steps PRESSURE: 85100 0 0 0 0 0 0 0 0 0 GPRESSURE: 85100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85100 260.2961 660.3665 387.1855 39.2704 -1731.5757 -286.3957 0.0000 0.0000 945.5712 274.7182 310.9004 286.6137 286.4922 310.9004 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85150 TCL: Running for 0 steps PRESSURE: 85150 0 0 0 0 0 0 0 0 0 GPRESSURE: 85150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85150 252.3439 750.3848 377.7180 41.3146 -1757.7416 -305.3961 0.0000 0.0000 941.2126 299.8362 309.4673 311.9127 311.1200 309.4673 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85200 TCL: Running for 0 steps PRESSURE: 85200 0 0 0 0 0 0 0 0 0 GPRESSURE: 85200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85200 251.9919 718.8379 373.8783 39.1068 -1783.9733 -277.6970 0.0000 0.0000 944.6954 266.8400 310.6124 278.8610 278.3261 310.6124 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85250 TCL: Running for 0 steps PRESSURE: 85250 0 0 0 0 0 0 0 0 0 GPRESSURE: 85250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85250 233.6890 680.9546 386.9611 44.7032 -1754.5959 -295.5596 0.0000 0.0000 944.2621 240.4146 310.4700 251.6818 254.0069 310.4700 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85300 TCL: Running for 0 steps PRESSURE: 85300 0 0 0 0 0 0 0 0 0 GPRESSURE: 85300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85300 229.4544 729.9928 386.4024 39.4778 -1761.3061 -276.3693 0.0000 0.0000 940.2214 287.8734 309.1414 300.3974 297.8643 309.1414 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85350 TCL: Running for 0 steps PRESSURE: 85350 0 0 0 0 0 0 0 0 0 GPRESSURE: 85350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85350 247.6599 715.3542 377.6491 37.5112 -1807.5805 -284.5045 0.0000 0.0000 944.4283 230.5177 310.5246 242.5355 242.0590 310.5246 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85400 TCL: Running for 0 steps PRESSURE: 85400 0 0 0 0 0 0 0 0 0 GPRESSURE: 85400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85400 221.5539 734.4944 388.9927 49.1757 -1785.5648 -281.9263 0.0000 0.0000 944.5509 271.2765 310.5649 283.0764 283.4468 310.5649 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85450 TCL: Running for 0 steps PRESSURE: 85450 0 0 0 0 0 0 0 0 0 GPRESSURE: 85450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85450 237.0987 733.9282 386.9580 35.3596 -1789.9036 -316.5382 0.0000 0.0000 947.8483 234.7510 311.6491 246.2736 247.6607 311.6491 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85500 TCL: Running for 0 steps PRESSURE: 85500 0 0 0 0 0 0 0 0 0 GPRESSURE: 85500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85500 267.5752 699.1221 399.6428 35.5592 -1773.0373 -280.6859 0.0000 0.0000 948.8657 297.0419 311.9836 309.2102 308.0892 311.9836 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85550 TCL: Running for 0 steps PRESSURE: 85550 0 0 0 0 0 0 0 0 0 GPRESSURE: 85550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85550 243.1848 723.7854 379.8283 39.8474 -1764.6490 -287.5166 0.0000 0.0000 947.0804 281.5606 311.3966 293.5433 293.1886 311.3966 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85600 TCL: Running for 0 steps PRESSURE: 85600 0 0 0 0 0 0 0 0 0 GPRESSURE: 85600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85600 249.5118 695.5621 380.5836 47.9125 -1799.7961 -261.6017 0.0000 0.0000 945.4429 257.6151 310.8582 269.5012 269.5307 310.8582 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85650 TCL: Running for 0 steps PRESSURE: 85650 0 0 0 0 0 0 0 0 0 GPRESSURE: 85650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85650 245.1110 692.1845 365.0803 42.5274 -1736.2471 -319.2061 0.0000 0.0000 945.0285 234.4786 310.7220 246.4026 246.2883 310.7220 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85700 TCL: Running for 0 steps PRESSURE: 85700 0 0 0 0 0 0 0 0 0 GPRESSURE: 85700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85700 258.3087 710.7879 388.8501 45.2904 -1736.2969 -288.6655 0.0000 0.0000 942.2399 320.5144 309.8051 333.2233 330.1726 309.8051 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85750 TCL: Running for 0 steps PRESSURE: 85750 0 0 0 0 0 0 0 0 0 GPRESSURE: 85750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85750 261.8706 699.7144 391.5467 34.3658 -1740.1340 -315.3197 0.0000 0.0000 946.2573 278.3010 311.1260 290.2269 290.3033 311.1260 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85800 TCL: Running for 0 steps PRESSURE: 85800 0 0 0 0 0 0 0 0 0 GPRESSURE: 85800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85800 253.2472 693.9875 383.5179 38.3873 -1757.0802 -297.1692 0.0000 0.0000 942.1233 257.0137 309.7668 268.5759 270.0113 309.7668 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85850 TCL: Running for 0 steps PRESSURE: 85850 0 0 0 0 0 0 0 0 0 GPRESSURE: 85850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85850 234.9902 695.5020 390.6446 40.0778 -1767.5764 -312.9665 0.0000 0.0000 941.1008 221.7725 309.4306 233.3810 234.5527 309.4306 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85900 TCL: Running for 0 steps PRESSURE: 85900 0 0 0 0 0 0 0 0 0 GPRESSURE: 85900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85900 245.5388 693.2762 383.4912 41.7947 -1782.0778 -295.0866 0.0000 0.0000 947.0875 234.0241 311.3990 245.6894 246.5752 311.3990 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 85950 TCL: Running for 0 steps PRESSURE: 85950 0 0 0 0 0 0 0 0 0 GPRESSURE: 85950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 85950 236.6667 720.3506 397.4760 37.7266 -1772.5768 -298.9801 0.0000 0.0000 936.7532 257.4162 308.0011 269.3596 269.1473 308.0011 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86000 TCL: Running for 0 steps PRESSURE: 86000 0 0 0 0 0 0 0 0 0 GPRESSURE: 86000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86000 245.1292 709.8755 404.8832 39.8931 -1752.0856 -294.7728 0.0000 0.0000 934.6704 287.5929 307.3163 300.1727 297.5870 307.3163 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86050 TCL: Running for 0 steps PRESSURE: 86050 0 0 0 0 0 0 0 0 0 GPRESSURE: 86050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86050 257.1923 729.1855 399.7144 35.3432 -1790.2867 -286.1244 0.0000 0.0000 946.0667 291.0910 311.0633 303.2932 302.2851 311.0633 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86100 TCL: Running for 0 steps PRESSURE: 86100 0 0 0 0 0 0 0 0 0 GPRESSURE: 86100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86100 236.2454 730.7059 395.6299 46.5302 -1789.8117 -273.1571 0.0000 0.0000 945.8554 291.9979 310.9939 304.5145 302.3904 310.9939 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86150 TCL: Running for 0 steps PRESSURE: 86150 0 0 0 0 0 0 0 0 0 GPRESSURE: 86150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86150 228.3112 717.2861 394.2517 43.0821 -1787.3520 -275.6595 0.0000 0.0000 942.7146 262.6342 309.9612 275.2651 272.8453 309.9612 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86200 TCL: Running for 0 steps PRESSURE: 86200 0 0 0 0 0 0 0 0 0 GPRESSURE: 86200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86200 235.9203 717.2982 384.4763 30.6974 -1770.1222 -279.7235 0.0000 0.0000 944.9433 263.4897 310.6939 275.5126 275.5238 310.6939 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86250 TCL: Running for 0 steps PRESSURE: 86250 0 0 0 0 0 0 0 0 0 GPRESSURE: 86250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86250 242.2649 699.4355 393.6090 46.6473 -1772.9853 -278.2451 0.0000 0.0000 944.9478 275.6741 310.6954 287.8554 287.2722 310.6954 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86300 TCL: Running for 0 steps PRESSURE: 86300 0 0 0 0 0 0 0 0 0 GPRESSURE: 86300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86300 231.5078 737.1669 381.4072 37.3702 -1780.5316 -303.7844 0.0000 0.0000 942.0748 245.2110 309.7508 257.4903 256.5758 309.7508 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86350 TCL: Running for 0 steps PRESSURE: 86350 0 0 0 0 0 0 0 0 0 GPRESSURE: 86350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86350 245.5848 762.5135 397.5516 47.2599 -1765.5533 -295.9422 0.0000 0.0000 939.0090 330.4232 308.7428 343.6363 339.2774 308.7428 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86400 TCL: Running for 0 steps PRESSURE: 86400 0 0 0 0 0 0 0 0 0 GPRESSURE: 86400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86400 224.8627 728.2603 401.5212 31.3624 -1750.6403 -289.8575 0.0000 0.0000 944.2890 289.7978 310.4788 302.2236 301.0893 310.4788 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86450 TCL: Running for 0 steps PRESSURE: 86450 0 0 0 0 0 0 0 0 0 GPRESSURE: 86450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86450 270.1385 689.8890 392.6536 41.9288 -1772.0738 -273.1232 0.0000 0.0000 938.1340 287.5468 308.4551 299.6584 299.7735 308.4551 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86500 TCL: Running for 0 steps PRESSURE: 86500 0 0 0 0 0 0 0 0 0 GPRESSURE: 86500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86500 240.7944 729.3984 396.0011 31.8175 -1727.8229 -300.2520 0.0000 0.0000 938.4635 308.4000 308.5634 320.0324 321.9371 308.5634 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86550 TCL: Running for 0 steps PRESSURE: 86550 0 0 0 0 0 0 0 0 0 GPRESSURE: 86550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86550 244.9377 701.2340 388.8383 42.1260 -1743.9591 -283.5467 0.0000 0.0000 946.8700 296.5001 311.3274 308.3836 309.2274 311.3274 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86600 TCL: Running for 0 steps PRESSURE: 86600 0 0 0 0 0 0 0 0 0 GPRESSURE: 86600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86600 254.6668 701.6264 392.7054 38.9545 -1747.5929 -271.8296 0.0000 0.0000 938.5121 307.0425 308.5794 318.5489 320.7546 308.5794 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86650 TCL: Running for 0 steps PRESSURE: 86650 0 0 0 0 0 0 0 0 0 GPRESSURE: 86650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86650 251.2662 697.4402 403.7828 52.0117 -1742.9579 -276.1933 0.0000 0.0000 935.6217 320.9713 307.6291 333.0554 332.9566 307.6291 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86700 TCL: Running for 0 steps PRESSURE: 86700 0 0 0 0 0 0 0 0 0 GPRESSURE: 86700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86700 246.0439 693.5814 412.6470 44.0092 -1755.9998 -293.3976 0.0000 0.0000 943.0458 289.9300 310.0701 301.5587 303.1737 310.0701 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86750 TCL: Running for 0 steps PRESSURE: 86750 0 0 0 0 0 0 0 0 0 GPRESSURE: 86750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86750 248.5830 687.7916 381.7730 49.0312 -1770.2969 -280.1088 0.0000 0.0000 945.8400 262.6130 310.9888 274.9271 273.8711 310.9888 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86800 TCL: Running for 0 steps PRESSURE: 86800 0 0 0 0 0 0 0 0 0 GPRESSURE: 86800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86800 235.6264 707.3170 393.7428 49.8922 -1721.1257 -300.4399 0.0000 0.0000 941.8980 306.9107 309.6927 319.3356 317.9300 309.6927 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86850 TCL: Running for 0 steps PRESSURE: 86850 0 0 0 0 0 0 0 0 0 GPRESSURE: 86850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86850 220.4798 683.3930 392.2640 45.6759 -1779.1564 -283.5797 0.0000 0.0000 945.5884 224.6650 310.9061 236.1850 238.2607 310.9061 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86900 TCL: Running for 0 steps PRESSURE: 86900 0 0 0 0 0 0 0 0 0 GPRESSURE: 86900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86900 244.1281 701.4162 380.4090 45.3847 -1788.5037 -279.7001 0.0000 0.0000 942.4082 245.5424 309.8604 257.3131 258.3188 309.8604 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 86950 TCL: Running for 0 steps PRESSURE: 86950 0 0 0 0 0 0 0 0 0 GPRESSURE: 86950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 86950 221.5538 697.1851 387.6987 53.7110 -1777.3796 -292.6045 0.0000 0.0000 947.1125 237.2770 311.4072 248.7803 250.7257 311.4072 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87000 TCL: Running for 0 steps PRESSURE: 87000 0 0 0 0 0 0 0 0 0 GPRESSURE: 87000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87000 246.0856 709.6943 375.2154 39.0539 -1776.5829 -305.6487 0.0000 0.0000 949.3245 237.1421 312.1345 248.8360 249.9453 312.1345 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87050 TCL: Running for 0 steps PRESSURE: 87050 0 0 0 0 0 0 0 0 0 GPRESSURE: 87050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87050 218.1930 719.0646 376.5167 50.3238 -1769.3213 -293.7360 0.0000 0.0000 944.7920 245.8328 310.6442 257.4489 258.7806 310.6442 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87100 TCL: Running for 0 steps PRESSURE: 87100 0 0 0 0 0 0 0 0 0 GPRESSURE: 87100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87100 244.1124 713.4280 391.7964 50.4028 -1768.5515 -290.9100 0.0000 0.0000 941.1757 281.4537 309.4552 293.9674 291.8500 309.4552 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87150 TCL: Running for 0 steps PRESSURE: 87150 0 0 0 0 0 0 0 0 0 GPRESSURE: 87150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87150 231.7094 707.5217 389.0326 40.0654 -1784.1006 -270.8676 0.0000 0.0000 933.3742 246.7352 306.8901 258.6949 258.7871 306.8901 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87200 TCL: Running for 0 steps PRESSURE: 87200 0 0 0 0 0 0 0 0 0 GPRESSURE: 87200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87200 247.2195 725.3143 381.5676 40.2233 -1787.4393 -282.1617 0.0000 0.0000 941.7138 266.4375 309.6321 278.5548 278.0504 309.6321 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87250 TCL: Running for 0 steps PRESSURE: 87250 0 0 0 0 0 0 0 0 0 GPRESSURE: 87250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87250 244.6178 694.5084 385.1731 42.9542 -1743.3642 -307.1242 0.0000 0.0000 942.1181 258.8833 309.7650 270.4969 271.9129 309.7650 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87300 TCL: Running for 0 steps PRESSURE: 87300 0 0 0 0 0 0 0 0 0 GPRESSURE: 87300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87300 257.3761 698.1437 389.2473 42.1218 -1751.1764 -285.2169 0.0000 0.0000 944.3462 294.8418 310.4976 306.7656 306.9300 310.4976 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87350 TCL: Running for 0 steps PRESSURE: 87350 0 0 0 0 0 0 0 0 0 GPRESSURE: 87350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87350 219.0457 696.6181 383.0806 33.3823 -1759.2725 -307.1361 0.0000 0.0000 944.4319 210.1499 310.5258 221.5215 223.7462 310.5258 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87400 TCL: Running for 0 steps PRESSURE: 87400 0 0 0 0 0 0 0 0 0 GPRESSURE: 87400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87400 235.1122 721.2273 377.2243 43.7580 -1755.0839 -297.5618 0.0000 0.0000 939.4270 264.1029 308.8802 275.5844 277.2578 308.8802 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87450 TCL: Running for 0 steps PRESSURE: 87450 0 0 0 0 0 0 0 0 0 GPRESSURE: 87450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87450 237.0843 695.5010 386.1245 38.5702 -1761.4707 -280.6576 0.0000 0.0000 936.0054 251.1571 307.7552 262.4677 264.6776 307.7552 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87500 TCL: Running for 0 steps PRESSURE: 87500 0 0 0 0 0 0 0 0 0 GPRESSURE: 87500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87500 220.7539 711.9240 396.7129 39.2757 -1757.2016 -290.6481 0.0000 0.0000 938.3340 259.1508 308.5208 271.2557 270.3489 308.5208 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87550 TCL: Running for 0 steps PRESSURE: 87550 0 0 0 0 0 0 0 0 0 GPRESSURE: 87550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87550 248.8360 690.4754 399.5602 38.0590 -1798.8037 -296.3883 0.0000 0.0000 937.1122 218.8508 308.1191 230.1480 232.3267 308.1191 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87600 TCL: Running for 0 steps PRESSURE: 87600 0 0 0 0 0 0 0 0 0 GPRESSURE: 87600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87600 234.6899 691.6798 390.4958 45.0933 -1778.1381 -275.7458 0.0000 0.0000 938.6061 246.6811 308.6103 258.4650 258.6823 308.6103 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87650 TCL: Running for 0 steps PRESSURE: 87650 0 0 0 0 0 0 0 0 0 GPRESSURE: 87650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87650 248.2550 715.0888 380.5722 38.1518 -1777.4127 -314.5747 0.0000 0.0000 941.3477 231.4281 309.5117 242.6809 244.8761 309.5117 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87700 TCL: Running for 0 steps PRESSURE: 87700 0 0 0 0 0 0 0 0 0 GPRESSURE: 87700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87700 228.1365 694.2778 396.7278 39.0564 -1795.0803 -274.8183 0.0000 0.0000 944.5606 232.8605 310.5681 244.6706 244.6389 310.5681 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87750 TCL: Running for 0 steps PRESSURE: 87750 0 0 0 0 0 0 0 0 0 GPRESSURE: 87750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87750 250.7769 700.8434 392.3220 39.1033 -1793.4163 -292.4245 0.0000 0.0000 944.5713 241.7761 310.5716 253.4522 253.9249 310.5716 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87800 TCL: Running for 0 steps PRESSURE: 87800 0 0 0 0 0 0 0 0 0 GPRESSURE: 87800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87800 240.6614 677.9191 392.1759 38.4135 -1746.7107 -297.8843 0.0000 0.0000 941.7331 246.3080 309.6385 258.2206 257.7770 309.6385 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87850 TCL: Running for 0 steps PRESSURE: 87850 0 0 0 0 0 0 0 0 0 GPRESSURE: 87850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87850 217.1737 699.3848 383.6634 42.8446 -1785.7071 -270.7674 0.0000 0.0000 945.5430 232.1351 310.8911 243.5622 244.9668 310.8911 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87900 TCL: Running for 0 steps PRESSURE: 87900 0 0 0 0 0 0 0 0 0 GPRESSURE: 87900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87900 230.4724 701.5439 386.7905 43.1586 -1795.0091 -291.5721 0.0000 0.0000 940.3762 215.7604 309.1923 227.3702 228.0022 309.1923 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 87950 TCL: Running for 0 steps PRESSURE: 87950 0 0 0 0 0 0 0 0 0 GPRESSURE: 87950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 87950 246.6111 716.6531 396.8895 45.0042 -1796.9974 -297.1377 0.0000 0.0000 942.2728 253.2955 309.8159 265.2142 264.6481 309.8159 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88000 TCL: Running for 0 steps PRESSURE: 88000 0 0 0 0 0 0 0 0 0 GPRESSURE: 88000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88000 223.3152 754.5890 391.5101 39.6003 -1808.9569 -278.6384 0.0000 0.0000 943.8106 265.2299 310.3215 277.1360 276.6526 310.3215 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88050 TCL: Running for 0 steps PRESSURE: 88050 0 0 0 0 0 0 0 0 0 GPRESSURE: 88050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88050 241.6480 691.7583 388.1357 40.2026 -1775.0955 -299.9760 0.0000 0.0000 941.0893 227.7623 309.4268 239.2476 240.3725 309.4268 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88100 TCL: Running for 0 steps PRESSURE: 88100 0 0 0 0 0 0 0 0 0 GPRESSURE: 88100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88100 236.1764 716.4584 383.4733 44.4523 -1800.0290 -296.3511 0.0000 0.0000 943.2917 227.4721 310.1509 239.5227 238.4574 310.1509 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88150 TCL: Running for 0 steps PRESSURE: 88150 0 0 0 0 0 0 0 0 0 GPRESSURE: 88150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88150 234.1438 664.0444 391.8096 45.5088 -1774.3758 -299.8209 0.0000 0.0000 939.6913 201.0012 308.9671 211.8363 215.3955 308.9671 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88200 TCL: Running for 0 steps PRESSURE: 88200 0 0 0 0 0 0 0 0 0 GPRESSURE: 88200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88200 239.0305 701.9467 382.7071 45.1809 -1763.0739 -322.1668 0.0000 0.0000 939.3749 222.9995 308.8631 234.6852 234.8321 308.8631 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88250 TCL: Running for 0 steps PRESSURE: 88250 0 0 0 0 0 0 0 0 0 GPRESSURE: 88250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88250 223.7180 687.9766 390.9979 43.3518 -1751.8792 -309.1894 0.0000 0.0000 941.3677 226.3434 309.5183 237.8245 238.7296 309.5183 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88300 TCL: Running for 0 steps PRESSURE: 88300 0 0 0 0 0 0 0 0 0 GPRESSURE: 88300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88300 232.3611 695.6248 377.1391 45.7035 -1746.3830 -299.7268 0.0000 0.0000 936.6149 241.3336 307.9556 253.1959 252.6150 307.9556 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88350 TCL: Running for 0 steps PRESSURE: 88350 0 0 0 0 0 0 0 0 0 GPRESSURE: 88350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88350 242.9009 723.2986 390.1668 45.6831 -1779.7193 -281.6115 0.0000 0.0000 939.6389 280.3576 308.9499 292.7364 290.2547 308.9499 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88400 TCL: Running for 0 steps PRESSURE: 88400 0 0 0 0 0 0 0 0 0 GPRESSURE: 88400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88400 228.3763 707.2274 383.2771 44.9338 -1770.4805 -283.7052 0.0000 0.0000 941.0230 250.6518 309.4050 262.7091 261.5887 309.4050 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88450 TCL: Running for 0 steps PRESSURE: 88450 0 0 0 0 0 0 0 0 0 GPRESSURE: 88450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88450 241.3899 706.5699 403.4290 29.2104 -1774.0648 -295.4308 0.0000 0.0000 945.4456 256.5493 310.8591 268.3839 268.1684 310.8591 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88500 TCL: Running for 0 steps PRESSURE: 88500 0 0 0 0 0 0 0 0 0 GPRESSURE: 88500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88500 223.7592 717.4199 375.2510 38.2028 -1765.9436 -294.2615 0.0000 0.0000 937.3982 231.8259 308.2132 243.8724 242.8758 308.2132 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88550 TCL: Running for 0 steps PRESSURE: 88550 0 0 0 0 0 0 0 0 0 GPRESSURE: 88550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88550 210.9061 717.4469 391.4218 38.7303 -1765.8492 -283.0281 0.0000 0.0000 940.9735 250.6015 309.3887 262.4620 262.2250 309.3887 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88600 TCL: Running for 0 steps PRESSURE: 88600 0 0 0 0 0 0 0 0 0 GPRESSURE: 88600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88600 231.1041 736.9857 391.7729 49.6543 -1772.0906 -315.9670 0.0000 0.0000 943.4257 264.8851 310.1950 277.0486 275.6904 310.1950 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88650 TCL: Running for 0 steps PRESSURE: 88650 0 0 0 0 0 0 0 0 0 GPRESSURE: 88650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88650 249.9074 708.9949 390.7623 48.3298 -1759.5925 -303.3964 0.0000 0.0000 942.1745 277.1801 309.7836 289.2154 288.4226 309.7836 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88700 TCL: Running for 0 steps PRESSURE: 88700 0 0 0 0 0 0 0 0 0 GPRESSURE: 88700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88700 198.0658 716.4208 393.4524 41.2869 -1763.9831 -279.0454 0.0000 0.0000 941.0594 247.2567 309.4169 259.1923 258.8229 309.4169 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88750 TCL: Running for 0 steps PRESSURE: 88750 0 0 0 0 0 0 0 0 0 GPRESSURE: 88750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88750 250.8928 691.8006 404.0394 46.0543 -1756.3083 -328.4597 0.0000 0.0000 947.6740 255.6931 311.5918 267.2902 268.2133 311.5918 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88800 TCL: Running for 0 steps PRESSURE: 88800 0 0 0 0 0 0 0 0 0 GPRESSURE: 88800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88800 244.8476 699.2651 379.8691 36.9945 -1761.1113 -291.4150 0.0000 0.0000 946.1084 254.5584 311.0770 266.5611 265.9055 311.0770 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88850 TCL: Running for 0 steps PRESSURE: 88850 0 0 0 0 0 0 0 0 0 GPRESSURE: 88850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88850 235.1776 753.5384 395.0383 49.2959 -1773.3734 -306.9812 0.0000 0.0000 942.1563 294.8519 309.7776 307.0075 305.8195 309.7776 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88900 TCL: Running for 0 steps PRESSURE: 88900 0 0 0 0 0 0 0 0 0 GPRESSURE: 88900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88900 235.1272 751.4574 386.5963 41.5003 -1765.9912 -287.3626 0.0000 0.0000 938.0274 299.3546 308.4200 311.4415 310.5855 308.4200 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 88950 TCL: Running for 0 steps PRESSURE: 88950 0 0 0 0 0 0 0 0 0 GPRESSURE: 88950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 88950 237.5935 717.9092 391.5922 49.6502 -1744.1332 -278.4490 0.0000 0.0000 939.5427 313.7056 308.9183 325.8401 324.8593 308.9183 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89000 TCL: Running for 0 steps PRESSURE: 89000 0 0 0 0 0 0 0 0 0 GPRESSURE: 89000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89000 241.9353 690.2824 400.6800 36.9558 -1783.8000 -280.9654 0.0000 0.0000 941.6310 246.7191 309.6049 258.4847 258.9483 309.6049 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89050 TCL: Running for 0 steps PRESSURE: 89050 0 0 0 0 0 0 0 0 0 GPRESSURE: 89050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89050 236.7073 759.0182 394.5054 36.9747 -1775.0084 -306.0862 0.0000 0.0000 944.1514 290.2623 310.4336 302.3604 301.5481 310.4336 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89100 TCL: Running for 0 steps PRESSURE: 89100 0 0 0 0 0 0 0 0 0 GPRESSURE: 89100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89100 228.7905 746.4226 388.9456 35.4295 -1778.4081 -306.1088 0.0000 0.0000 939.6412 254.7125 308.9506 266.3854 267.2186 308.9506 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89150 TCL: Running for 0 steps PRESSURE: 89150 0 0 0 0 0 0 0 0 0 GPRESSURE: 89150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89150 232.0517 747.4199 379.7183 53.2952 -1814.8012 -282.8706 0.0000 0.0000 942.6227 257.4360 309.9310 269.5978 268.5455 309.9310 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89200 TCL: Running for 0 steps PRESSURE: 89200 0 0 0 0 0 0 0 0 0 GPRESSURE: 89200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89200 258.8714 696.1024 388.1056 44.5622 -1797.0316 -294.1602 0.0000 0.0000 941.3096 237.7594 309.4992 249.4209 250.3101 309.4992 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89250 TCL: Running for 0 steps PRESSURE: 89250 0 0 0 0 0 0 0 0 0 GPRESSURE: 89250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89250 233.1098 719.9219 388.1352 48.0648 -1808.6249 -281.6461 0.0000 0.0000 938.0147 236.9755 308.4159 248.9089 248.7232 308.4159 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89300 TCL: Running for 0 steps PRESSURE: 89300 0 0 0 0 0 0 0 0 0 GPRESSURE: 89300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89300 241.4027 703.5405 380.5312 42.5567 -1791.9640 -318.4594 0.0000 0.0000 935.8624 193.4702 307.7082 204.8459 206.7629 307.7082 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89350 TCL: Running for 0 steps PRESSURE: 89350 0 0 0 0 0 0 0 0 0 GPRESSURE: 89350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89350 236.7078 747.8127 385.8948 36.3249 -1815.6197 -288.1082 0.0000 0.0000 936.2448 239.2571 307.8339 251.4382 250.2155 307.8339 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89400 TCL: Running for 0 steps PRESSURE: 89400 0 0 0 0 0 0 0 0 0 GPRESSURE: 89400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89400 227.1862 681.1118 376.1115 43.1315 -1773.4952 -298.6343 0.0000 0.0000 937.5566 192.9680 308.2652 204.5348 205.6923 308.2652 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89450 TCL: Running for 0 steps PRESSURE: 89450 0 0 0 0 0 0 0 0 0 GPRESSURE: 89450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89450 237.1973 675.2007 373.4185 32.5617 -1766.6109 -294.6955 0.0000 0.0000 940.1992 197.2709 309.1341 208.5422 210.7354 309.1341 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89500 TCL: Running for 0 steps PRESSURE: 89500 0 0 0 0 0 0 0 0 0 GPRESSURE: 89500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89500 205.8715 700.7966 381.0266 43.5348 -1748.1643 -275.0346 0.0000 0.0000 936.1055 244.1362 307.7881 256.1231 255.4954 307.7881 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89550 TCL: Running for 0 steps PRESSURE: 89550 0 0 0 0 0 0 0 0 0 GPRESSURE: 89550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89550 241.9045 735.4069 381.6638 35.8640 -1782.8840 -288.4831 0.0000 0.0000 940.2951 263.7671 309.1656 275.7596 275.1500 309.1656 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89600 TCL: Running for 0 steps PRESSURE: 89600 0 0 0 0 0 0 0 0 0 GPRESSURE: 89600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89600 223.4878 728.7882 394.5432 42.9418 -1775.6069 -284.8076 0.0000 0.0000 937.6756 267.0221 308.3044 278.8658 278.8527 308.3044 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89650 TCL: Running for 0 steps PRESSURE: 89650 0 0 0 0 0 0 0 0 0 GPRESSURE: 89650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89650 239.3740 738.4645 394.1811 51.8953 -1789.7817 -297.8712 0.0000 0.0000 938.9312 275.1932 308.7172 287.8028 284.9182 308.7172 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89700 TCL: Running for 0 steps PRESSURE: 89700 0 0 0 0 0 0 0 0 0 GPRESSURE: 89700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89700 235.4140 717.3698 390.4365 48.7608 -1801.6734 -292.8208 0.0000 0.0000 941.4690 238.9559 309.5516 251.0808 250.1943 309.5516 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89750 TCL: Running for 0 steps PRESSURE: 89750 0 0 0 0 0 0 0 0 0 GPRESSURE: 89750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89750 239.2565 725.1942 397.7345 48.2760 -1797.5521 -292.5431 0.0000 0.0000 946.1730 266.5389 311.0983 278.4416 278.4437 311.0983 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89800 TCL: Running for 0 steps PRESSURE: 89800 0 0 0 0 0 0 0 0 0 GPRESSURE: 89800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89800 239.7864 689.6214 398.5848 52.4209 -1791.0326 -278.9385 0.0000 0.0000 944.7144 255.1567 310.6187 267.5599 265.6852 310.6187 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89850 TCL: Running for 0 steps PRESSURE: 89850 0 0 0 0 0 0 0 0 0 GPRESSURE: 89850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89850 244.6369 687.9135 378.9682 43.9223 -1751.5073 -297.8611 0.0000 0.0000 943.6338 249.7063 310.2634 261.2360 262.7538 310.2634 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89900 TCL: Running for 0 steps PRESSURE: 89900 0 0 0 0 0 0 0 0 0 GPRESSURE: 89900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89900 230.4486 699.8609 384.8171 50.7388 -1733.1628 -301.4100 0.0000 0.0000 944.2888 275.5815 310.4788 287.4551 287.5883 310.4788 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 89950 TCL: Running for 0 steps PRESSURE: 89950 0 0 0 0 0 0 0 0 0 GPRESSURE: 89950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 89950 248.0915 727.5748 396.9088 44.8469 -1794.5787 -297.3387 0.0000 0.0000 939.7499 265.2546 308.9864 277.9074 275.1104 308.9864 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90000 TCL: Running for 0 steps PRESSURE: 90000 0 0 0 0 0 0 0 0 0 GPRESSURE: 90000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90000 241.2818 716.8770 387.6749 32.1343 -1736.9263 -298.4883 0.0000 0.0000 935.9220 278.4754 307.7278 290.8642 289.2321 307.7278 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90050 TCL: Running for 0 steps PRESSURE: 90050 0 0 0 0 0 0 0 0 0 GPRESSURE: 90050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90050 243.7597 738.5644 392.5292 38.0404 -1754.5885 -289.2665 0.0000 0.0000 941.2449 310.2836 309.4779 323.1328 319.8762 309.4779 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90100 TCL: Running for 0 steps PRESSURE: 90100 0 0 0 0 0 0 0 0 0 GPRESSURE: 90100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90100 244.7483 711.3289 396.2327 39.5083 -1772.9762 -288.3335 0.0000 0.0000 936.9512 267.4595 308.0662 279.7076 278.9088 308.0662 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90150 TCL: Running for 0 steps PRESSURE: 90150 0 0 0 0 0 0 0 0 0 GPRESSURE: 90150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90150 236.3056 738.2213 399.7372 41.0190 -1795.3256 -299.5469 0.0000 0.0000 939.9039 260.3146 309.0370 272.9145 270.8462 309.0370 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90200 TCL: Running for 0 steps PRESSURE: 90200 0 0 0 0 0 0 0 0 0 GPRESSURE: 90200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90200 234.6598 737.7341 387.9928 38.4158 -1772.6451 -293.9994 0.0000 0.0000 931.2686 263.4266 306.1978 275.9892 274.1900 306.1978 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90250 TCL: Running for 0 steps PRESSURE: 90250 0 0 0 0 0 0 0 0 0 GPRESSURE: 90250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90250 263.5290 683.0942 390.1162 38.0586 -1745.0779 -314.9166 0.0000 0.0000 936.3682 251.1718 307.8745 262.6148 265.1265 307.8745 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90300 TCL: Running for 0 steps PRESSURE: 90300 0 0 0 0 0 0 0 0 0 GPRESSURE: 90300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90300 229.8730 716.1319 381.8339 46.0871 -1806.7848 -287.2382 0.0000 0.0000 940.3473 220.2500 309.1828 231.8853 233.5192 309.1828 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90350 TCL: Running for 0 steps PRESSURE: 90350 0 0 0 0 0 0 0 0 0 GPRESSURE: 90350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90350 228.6071 749.7052 399.5608 46.1357 -1812.8724 -298.4707 0.0000 0.0000 942.2348 254.9006 309.8034 266.8226 267.2791 309.8034 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90400 TCL: Running for 0 steps PRESSURE: 90400 0 0 0 0 0 0 0 0 0 GPRESSURE: 90400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90400 227.3877 713.5081 391.7569 37.7732 -1779.7375 -312.8787 0.0000 0.0000 938.5447 216.3544 308.5901 227.9739 229.5361 308.5901 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90450 TCL: Running for 0 steps PRESSURE: 90450 0 0 0 0 0 0 0 0 0 GPRESSURE: 90450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90450 223.2128 711.6078 386.6323 41.0939 -1764.2002 -293.5663 0.0000 0.0000 941.0993 245.8796 309.4301 257.6807 258.4643 309.4301 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90500 TCL: Running for 0 steps PRESSURE: 90500 0 0 0 0 0 0 0 0 0 GPRESSURE: 90500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90500 247.8950 724.1074 394.6647 39.3278 -1749.1115 -286.5085 0.0000 0.0000 943.4460 313.8209 310.2016 326.1932 324.7861 310.2016 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90550 TCL: Running for 0 steps PRESSURE: 90550 0 0 0 0 0 0 0 0 0 GPRESSURE: 90550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90550 232.4986 723.6709 380.0024 43.3785 -1739.0194 -300.7112 0.0000 0.0000 941.7784 281.5982 309.6533 293.3968 294.2289 309.6533 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90600 TCL: Running for 0 steps PRESSURE: 90600 0 0 0 0 0 0 0 0 0 GPRESSURE: 90600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90600 251.6484 745.6252 403.8092 47.2400 -1707.5609 -327.5104 0.0000 0.0000 940.7995 354.0509 309.3315 366.6389 364.4587 309.3315 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90650 TCL: Running for 0 steps PRESSURE: 90650 0 0 0 0 0 0 0 0 0 GPRESSURE: 90650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90650 218.6222 741.8829 389.8656 38.1506 -1733.2519 -309.5515 0.0000 0.0000 933.6975 279.4153 306.9964 291.3830 291.6653 306.9964 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90700 TCL: Running for 0 steps PRESSURE: 90700 0 0 0 0 0 0 0 0 0 GPRESSURE: 90700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90700 256.1537 697.2915 389.4297 46.1512 -1779.8837 -303.0544 0.0000 0.0000 929.6455 235.7335 305.6641 247.4378 248.6900 305.6641 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90750 TCL: Running for 0 steps PRESSURE: 90750 0 0 0 0 0 0 0 0 0 GPRESSURE: 90750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90750 243.6655 705.7684 389.3656 37.3382 -1752.0273 -304.6927 0.0000 0.0000 933.0711 252.4888 306.7904 264.1238 265.5577 306.7904 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90800 TCL: Running for 0 steps PRESSURE: 90800 0 0 0 0 0 0 0 0 0 GPRESSURE: 90800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90800 229.2550 725.5469 379.4725 36.7975 -1720.5828 -302.6989 0.0000 0.0000 930.1061 277.8963 305.8155 289.5489 290.8269 305.8155 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90850 TCL: Running for 0 steps PRESSURE: 90850 0 0 0 0 0 0 0 0 0 GPRESSURE: 90850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90850 233.5894 715.5018 382.1793 40.7893 -1723.5458 -308.1970 0.0000 0.0000 940.5080 280.8250 309.2356 292.5316 293.5272 309.2356 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90900 TCL: Running for 0 steps PRESSURE: 90900 0 0 0 0 0 0 0 0 0 GPRESSURE: 90900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90900 229.1887 723.8801 377.5293 46.8788 -1740.4139 -305.8646 0.0000 0.0000 941.1540 272.3524 309.4481 284.0348 285.0592 309.4481 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 90950 TCL: Running for 0 steps PRESSURE: 90950 0 0 0 0 0 0 0 0 0 GPRESSURE: 90950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 90950 239.3164 685.3391 379.4056 49.5688 -1731.6939 -302.1511 0.0000 0.0000 934.4847 254.2697 307.2552 265.9036 267.0459 307.2552 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91000 TCL: Running for 0 steps PRESSURE: 91000 0 0 0 0 0 0 0 0 0 GPRESSURE: 91000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91000 258.5986 731.6159 392.2665 43.4808 -1780.5751 -292.2757 0.0000 0.0000 942.2907 295.4017 309.8218 307.9453 305.6046 309.8218 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91050 TCL: Running for 0 steps PRESSURE: 91050 0 0 0 0 0 0 0 0 0 GPRESSURE: 91050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91050 234.8304 742.6257 391.6894 43.9632 -1816.9706 -318.4186 0.0000 0.0000 935.0316 212.7511 307.4350 224.2173 226.0634 307.4350 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91100 TCL: Running for 0 steps PRESSURE: 91100 0 0 0 0 0 0 0 0 0 GPRESSURE: 91100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91100 229.9178 707.6154 369.8930 49.7564 -1767.8903 -274.7705 0.0000 0.0000 941.5264 256.0482 309.5705 267.8877 268.2183 309.5705 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91150 TCL: Running for 0 steps PRESSURE: 91150 0 0 0 0 0 0 0 0 0 GPRESSURE: 91150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91150 265.2228 698.0668 384.2341 48.3751 -1765.0681 -299.4978 0.0000 0.0000 936.6841 268.0170 307.9784 280.1714 279.3006 307.9784 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91200 TCL: Running for 0 steps PRESSURE: 91200 0 0 0 0 0 0 0 0 0 GPRESSURE: 91200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91200 232.2734 711.2355 389.1638 48.0916 -1793.7636 -293.4205 0.0000 0.0000 935.5781 229.1585 307.6147 240.9338 241.5388 307.6147 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91250 TCL: Running for 0 steps PRESSURE: 91250 0 0 0 0 0 0 0 0 0 GPRESSURE: 91250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91250 236.9352 712.5687 368.1820 34.6045 -1762.8188 -295.8429 0.0000 0.0000 938.1897 231.8185 308.4734 243.6664 243.9615 308.4734 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91300 TCL: Running for 0 steps PRESSURE: 91300 0 0 0 0 0 0 0 0 0 GPRESSURE: 91300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91300 230.3597 701.8404 384.0899 39.0026 -1768.5870 -307.0729 0.0000 0.0000 941.3694 221.0020 309.5189 232.4643 234.1869 309.5189 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91350 TCL: Running for 0 steps PRESSURE: 91350 0 0 0 0 0 0 0 0 0 GPRESSURE: 91350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91350 229.4417 697.5415 376.0233 45.3359 -1763.2994 -273.3607 0.0000 0.0000 937.5394 249.2217 308.2596 260.8063 261.9627 308.2596 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91400 TCL: Running for 0 steps PRESSURE: 91400 0 0 0 0 0 0 0 0 0 GPRESSURE: 91400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91400 231.9011 687.7917 388.2074 32.7960 -1776.0358 -294.7476 0.0000 0.0000 940.5232 210.4361 309.2407 221.6673 224.0766 309.2407 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91450 TCL: Running for 0 steps PRESSURE: 91450 0 0 0 0 0 0 0 0 0 GPRESSURE: 91450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91450 222.8549 701.1797 380.6822 35.3196 -1779.7606 -294.0894 0.0000 0.0000 934.8560 201.0424 307.3773 212.7280 213.2829 307.3773 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91500 TCL: Running for 0 steps PRESSURE: 91500 0 0 0 0 0 0 0 0 0 GPRESSURE: 91500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91500 236.2451 679.6177 392.1090 36.8210 -1741.4912 -310.6277 0.0000 0.0000 944.8025 237.4765 310.6477 249.3034 249.2936 310.6477 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91550 TCL: Running for 0 steps PRESSURE: 91550 0 0 0 0 0 0 0 0 0 GPRESSURE: 91550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91550 234.1519 702.5464 379.8640 35.7484 -1807.8329 -305.2663 0.0000 0.0000 942.6438 181.8553 309.9379 193.0590 195.3871 309.9379 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91600 TCL: Running for 0 steps PRESSURE: 91600 0 0 0 0 0 0 0 0 0 GPRESSURE: 91600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91600 227.7929 692.3441 392.9537 44.1277 -1794.5618 -300.6862 0.0000 0.0000 942.1226 204.0930 309.7665 215.5218 216.8599 309.7665 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91650 TCL: Running for 0 steps PRESSURE: 91650 0 0 0 0 0 0 0 0 0 GPRESSURE: 91650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91650 220.7808 719.5797 382.1252 41.2902 -1766.8017 -311.2319 0.0000 0.0000 947.0899 232.8321 311.3997 244.6148 244.5425 311.3997 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91700 TCL: Running for 0 steps PRESSURE: 91700 0 0 0 0 0 0 0 0 0 GPRESSURE: 91700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91700 233.2523 690.7825 392.8793 38.8930 -1780.3124 -284.5716 0.0000 0.0000 942.6121 233.5352 309.9275 245.3667 245.1157 309.9275 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91750 TCL: Running for 0 steps PRESSURE: 91750 0 0 0 0 0 0 0 0 0 GPRESSURE: 91750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91750 221.9047 673.8605 378.5173 33.4720 -1775.4004 -302.7142 0.0000 0.0000 942.5127 172.1524 309.8948 183.8042 184.2429 309.8948 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91800 TCL: Running for 0 steps PRESSURE: 91800 0 0 0 0 0 0 0 0 0 GPRESSURE: 91800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91800 238.0230 705.5849 381.5748 35.9903 -1765.9170 -302.7953 0.0000 0.0000 944.3793 236.8400 310.5085 249.1850 246.9967 310.5085 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91850 TCL: Running for 0 steps PRESSURE: 91850 0 0 0 0 0 0 0 0 0 GPRESSURE: 91850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91850 229.4894 703.4584 397.4177 47.3796 -1799.3356 -291.3765 0.0000 0.0000 941.1134 228.1465 309.4347 240.2004 239.2405 309.4347 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91900 TCL: Running for 0 steps PRESSURE: 91900 0 0 0 0 0 0 0 0 0 GPRESSURE: 91900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91900 242.0140 677.6331 388.0518 42.4791 -1796.7008 -312.3996 0.0000 0.0000 941.0422 182.1196 309.4113 193.4765 195.1905 309.4113 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 91950 TCL: Running for 0 steps PRESSURE: 91950 0 0 0 0 0 0 0 0 0 GPRESSURE: 91950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 91950 233.2714 699.1707 410.1765 40.1350 -1800.0608 -267.5027 0.0000 0.0000 937.8252 253.0153 308.3535 264.7654 264.8978 308.3535 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92000 TCL: Running for 0 steps PRESSURE: 92000 0 0 0 0 0 0 0 0 0 GPRESSURE: 92000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92000 238.4754 710.6865 374.0513 41.1924 -1796.8814 -295.6436 0.0000 0.0000 940.7705 212.6511 309.3220 224.4720 224.3303 309.3220 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92050 TCL: Running for 0 steps PRESSURE: 92050 0 0 0 0 0 0 0 0 0 GPRESSURE: 92050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92050 220.1502 716.0716 400.0507 42.6348 -1814.2964 -292.0807 0.0000 0.0000 940.8194 213.3497 309.3380 225.5660 223.9506 309.3380 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92100 TCL: Running for 0 steps PRESSURE: 92100 0 0 0 0 0 0 0 0 0 GPRESSURE: 92100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92100 247.1751 676.8675 395.1408 38.0499 -1812.4697 -280.8542 0.0000 0.0000 941.0803 204.9897 309.4238 216.7783 216.8678 309.4238 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92150 TCL: Running for 0 steps PRESSURE: 92150 0 0 0 0 0 0 0 0 0 GPRESSURE: 92150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92150 234.6901 719.3940 395.3609 55.2367 -1810.6909 -315.2552 0.0000 0.0000 942.3910 221.1267 309.8548 232.9826 232.8140 309.8548 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92200 TCL: Running for 0 steps PRESSURE: 92200 0 0 0 0 0 0 0 0 0 GPRESSURE: 92200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92200 262.1838 726.7652 385.5542 41.3941 -1833.0267 -309.9749 0.0000 0.0000 935.9299 208.8256 307.7304 220.6370 220.6459 307.7304 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92250 TCL: Running for 0 steps PRESSURE: 92250 0 0 0 0 0 0 0 0 0 GPRESSURE: 92250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92250 225.1220 701.0719 376.9953 47.4423 -1785.0358 -295.9246 0.0000 0.0000 941.6823 211.3534 309.6217 223.0958 223.3627 309.6217 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92300 TCL: Running for 0 steps PRESSURE: 92300 0 0 0 0 0 0 0 0 0 GPRESSURE: 92300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92300 228.5275 731.7677 380.6727 34.1701 -1825.5995 -307.6799 0.0000 0.0000 942.7602 184.6189 309.9761 196.4925 196.2507 309.9761 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92350 TCL: Running for 0 steps PRESSURE: 92350 0 0 0 0 0 0 0 0 0 GPRESSURE: 92350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92350 268.6392 685.7004 393.4836 32.2724 -1802.2550 -291.0079 0.0000 0.0000 941.5760 228.4086 309.5868 240.3400 239.8967 309.5868 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92400 TCL: Running for 0 steps PRESSURE: 92400 0 0 0 0 0 0 0 0 0 GPRESSURE: 92400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92400 217.6159 726.9232 404.2258 46.3559 -1787.4444 -310.4373 0.0000 0.0000 941.6725 238.9115 309.6185 250.6336 251.0028 309.6185 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92450 TCL: Running for 0 steps PRESSURE: 92450 0 0 0 0 0 0 0 0 0 GPRESSURE: 92450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92450 238.1832 715.6495 389.2970 40.2521 -1788.7980 -272.0120 0.0000 0.0000 946.2388 268.8106 311.1199 280.8338 280.0509 311.1199 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92500 TCL: Running for 0 steps PRESSURE: 92500 0 0 0 0 0 0 0 0 0 GPRESSURE: 92500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92500 251.8331 726.6403 409.1460 42.4699 -1779.2430 -309.2365 0.0000 0.0000 934.3270 275.9368 307.2034 288.5958 285.4777 307.2034 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92550 TCL: Running for 0 steps PRESSURE: 92550 0 0 0 0 0 0 0 0 0 GPRESSURE: 92550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92550 235.9327 720.7443 392.0924 41.9208 -1780.7949 -304.8934 0.0000 0.0000 935.5059 240.5077 307.5910 252.3096 252.6004 307.5910 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92600 TCL: Running for 0 steps PRESSURE: 92600 0 0 0 0 0 0 0 0 0 GPRESSURE: 92600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92600 225.4718 703.6249 397.7640 39.4953 -1789.3983 -301.3722 0.0000 0.0000 942.7399 218.3256 309.9695 229.6629 231.6777 309.9695 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92650 TCL: Running for 0 steps PRESSURE: 92650 0 0 0 0 0 0 0 0 0 GPRESSURE: 92650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92650 245.4711 718.5273 401.3572 39.3672 -1785.9167 -297.5469 0.0000 0.0000 944.0274 265.2867 310.3928 277.2925 276.6745 310.3928 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92700 TCL: Running for 0 steps PRESSURE: 92700 0 0 0 0 0 0 0 0 0 GPRESSURE: 92700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92700 232.3782 700.4599 394.8895 42.8138 -1788.0399 -300.3669 0.0000 0.0000 946.0602 228.1947 311.0612 239.9470 240.3185 311.0612 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92750 TCL: Running for 0 steps PRESSURE: 92750 0 0 0 0 0 0 0 0 0 GPRESSURE: 92750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92750 243.3151 776.7325 406.5106 43.3065 -1826.9140 -311.5082 0.0000 0.0000 942.2013 273.6438 309.7924 285.5164 285.4133 309.7924 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92800 TCL: Running for 0 steps PRESSURE: 92800 0 0 0 0 0 0 0 0 0 GPRESSURE: 92800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92800 235.1894 729.0095 399.1620 42.3842 -1786.4237 -303.9706 0.0000 0.0000 944.8430 260.1938 310.6610 271.9966 272.1616 310.6610 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92850 TCL: Running for 0 steps PRESSURE: 92850 0 0 0 0 0 0 0 0 0 GPRESSURE: 92850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92850 258.6763 742.0727 401.8424 39.6478 -1807.7236 -288.7300 0.0000 0.0000 947.3894 293.1750 311.4982 305.2819 304.2963 311.4982 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92900 TCL: Running for 0 steps PRESSURE: 92900 0 0 0 0 0 0 0 0 0 GPRESSURE: 92900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92900 230.3557 727.8132 407.2192 42.8679 -1776.2589 -279.8438 0.0000 0.0000 944.0438 296.1970 310.3982 308.3125 307.3565 310.3982 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 92950 TCL: Running for 0 steps PRESSURE: 92950 0 0 0 0 0 0 0 0 0 GPRESSURE: 92950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 92950 230.6830 709.9108 402.8981 40.1777 -1780.5264 -284.1836 0.0000 0.0000 941.9642 260.9238 309.7144 272.6184 273.3001 309.7144 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93000 TCL: Running for 0 steps PRESSURE: 93000 0 0 0 0 0 0 0 0 0 GPRESSURE: 93000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93000 233.5398 701.8237 398.1422 51.7646 -1794.0095 -266.7790 0.0000 0.0000 944.8217 269.3035 310.6540 281.1266 281.2839 310.6540 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93050 TCL: Running for 0 steps PRESSURE: 93050 0 0 0 0 0 0 0 0 0 GPRESSURE: 93050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93050 228.5475 728.1781 389.9407 44.4675 -1777.0770 -291.3036 0.0000 0.0000 945.9150 268.6682 311.0134 280.8333 279.6982 311.0134 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93100 TCL: Running for 0 steps PRESSURE: 93100 0 0 0 0 0 0 0 0 0 GPRESSURE: 93100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93100 216.2938 722.4088 397.1278 45.6833 -1850.9939 -276.8384 0.0000 0.0000 949.4091 203.0906 312.1623 214.8575 215.2866 312.1623 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93150 TCL: Running for 0 steps PRESSURE: 93150 0 0 0 0 0 0 0 0 0 GPRESSURE: 93150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93150 209.6272 719.1045 378.1690 43.9515 -1825.0074 -277.1254 0.0000 0.0000 949.1951 197.9146 312.0919 209.8442 209.6364 312.0919 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93200 TCL: Running for 0 steps PRESSURE: 93200 0 0 0 0 0 0 0 0 0 GPRESSURE: 93200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93200 234.3349 729.3412 393.0140 38.0383 -1798.9445 -293.1326 0.0000 0.0000 948.8676 251.5190 311.9843 263.7418 262.4475 311.9843 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93250 TCL: Running for 0 steps PRESSURE: 93250 0 0 0 0 0 0 0 0 0 GPRESSURE: 93250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93250 227.4583 738.6968 390.9730 39.3464 -1835.2099 -281.4860 0.0000 0.0000 952.2135 231.9921 313.0844 244.2200 242.9878 313.0844 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93300 TCL: Running for 0 steps PRESSURE: 93300 0 0 0 0 0 0 0 0 0 GPRESSURE: 93300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93300 261.3438 722.2254 398.0594 40.6595 -1820.5530 -278.7108 0.0000 0.0000 944.6243 267.6487 310.5891 280.1245 278.0395 310.5891 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93350 TCL: Running for 0 steps PRESSURE: 93350 0 0 0 0 0 0 0 0 0 GPRESSURE: 93350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93350 241.2950 745.0940 401.3132 39.2159 -1761.4917 -294.1930 0.0000 0.0000 947.2243 318.4577 311.4439 331.1748 328.3152 311.4439 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93400 TCL: Running for 0 steps PRESSURE: 93400 0 0 0 0 0 0 0 0 0 GPRESSURE: 93400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93400 247.8214 761.2559 388.1294 43.4305 -1784.7347 -282.4130 0.0000 0.0000 954.3173 327.8069 313.7761 340.7910 337.1088 313.7761 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93450 TCL: Running for 0 steps PRESSURE: 93450 0 0 0 0 0 0 0 0 0 GPRESSURE: 93450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93450 251.9833 694.0184 388.2518 35.6160 -1793.2684 -267.8887 0.0000 0.0000 944.6022 253.3146 310.5818 265.4699 265.1260 310.5818 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93500 TCL: Running for 0 steps PRESSURE: 93500 0 0 0 0 0 0 0 0 0 GPRESSURE: 93500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93500 224.3498 753.8684 396.3089 44.0880 -1753.6764 -302.6828 0.0000 0.0000 951.1766 313.4325 312.7434 326.0848 323.8983 312.7434 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93550 TCL: Running for 0 steps PRESSURE: 93550 0 0 0 0 0 0 0 0 0 GPRESSURE: 93550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93550 224.0417 716.0746 396.8088 41.6758 -1743.9663 -282.2362 0.0000 0.0000 944.9870 297.3855 310.7083 309.9677 308.1812 310.7083 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93600 TCL: Running for 0 steps PRESSURE: 93600 0 0 0 0 0 0 0 0 0 GPRESSURE: 93600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93600 232.9751 726.6580 381.0076 45.6920 -1726.6197 -288.7025 0.0000 0.0000 945.4012 316.4117 310.8445 328.5226 328.6147 310.8445 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93650 TCL: Running for 0 steps PRESSURE: 93650 0 0 0 0 0 0 0 0 0 GPRESSURE: 93650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93650 265.8294 755.8066 409.3887 47.3884 -1794.5997 -308.6559 0.0000 0.0000 938.6895 313.8470 308.6377 326.2249 325.3103 308.6377 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93700 TCL: Running for 0 steps PRESSURE: 93700 0 0 0 0 0 0 0 0 0 GPRESSURE: 93700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93700 232.5378 745.0319 402.5022 43.6469 -1779.0129 -292.2383 0.0000 0.0000 939.2271 291.6947 308.8145 303.9483 303.5569 308.8145 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93750 TCL: Running for 0 steps PRESSURE: 93750 0 0 0 0 0 0 0 0 0 GPRESSURE: 93750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93750 258.8432 733.8393 402.8520 36.5886 -1747.3947 -303.2447 0.0000 0.0000 947.2113 328.6950 311.4397 341.3720 339.4172 311.4397 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93800 TCL: Running for 0 steps PRESSURE: 93800 0 0 0 0 0 0 0 0 0 GPRESSURE: 93800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93800 259.4904 734.3471 395.8768 49.1886 -1741.7250 -306.0323 0.0000 0.0000 942.8273 333.9728 309.9982 347.0402 343.7437 309.9982 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93850 TCL: Running for 0 steps PRESSURE: 93850 0 0 0 0 0 0 0 0 0 GPRESSURE: 93850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93850 228.7756 735.8299 397.6644 37.6308 -1807.0881 -290.2848 0.0000 0.0000 949.1779 251.7057 312.0863 263.9919 263.8309 312.0863 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93900 TCL: Running for 0 steps PRESSURE: 93900 0 0 0 0 0 0 0 0 0 GPRESSURE: 93900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93900 239.3644 745.1282 391.9629 33.7499 -1769.3999 -280.0720 0.0000 0.0000 949.1251 309.8586 312.0689 322.2522 321.6988 312.0689 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 93950 TCL: Running for 0 steps PRESSURE: 93950 0 0 0 0 0 0 0 0 0 GPRESSURE: 93950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 93950 243.7476 726.8421 401.3448 45.9282 -1760.9523 -308.9312 0.0000 0.0000 948.8386 296.8177 311.9747 309.4172 308.1262 311.9747 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94000 TCL: Running for 0 steps PRESSURE: 94000 0 0 0 0 0 0 0 0 0 GPRESSURE: 94000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94000 252.3231 725.9471 392.6331 43.2690 -1790.0671 -287.8138 0.0000 0.0000 941.7972 278.0885 309.6595 290.9434 288.7751 309.6595 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94050 TCL: Running for 0 steps PRESSURE: 94050 0 0 0 0 0 0 0 0 0 GPRESSURE: 94050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94050 271.2418 755.5607 399.3695 41.8900 -1813.3981 -306.4757 0.0000 0.0000 952.2416 300.4298 313.0936 313.1842 311.5282 313.0936 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94100 TCL: Running for 0 steps PRESSURE: 94100 0 0 0 0 0 0 0 0 0 GPRESSURE: 94100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94100 255.9493 725.2735 398.3581 43.7197 -1818.7531 -305.3481 0.0000 0.0000 954.5632 253.7626 313.8569 265.9669 266.4773 313.8569 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94150 TCL: Running for 0 steps PRESSURE: 94150 0 0 0 0 0 0 0 0 0 GPRESSURE: 94150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94150 228.9149 714.5881 408.2233 50.3616 -1760.9101 -305.1011 0.0000 0.0000 950.7102 286.7869 312.5901 299.1854 298.9356 312.5901 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94200 TCL: Running for 0 steps PRESSURE: 94200 0 0 0 0 0 0 0 0 0 GPRESSURE: 94200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94200 239.9416 748.2067 389.6844 41.7817 -1770.4189 -298.3350 0.0000 0.0000 955.2815 306.1420 314.0931 318.7122 317.8343 314.0931 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94250 TCL: Running for 0 steps PRESSURE: 94250 0 0 0 0 0 0 0 0 0 GPRESSURE: 94250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94250 236.5763 697.7607 398.0296 50.0059 -1762.3123 -303.7927 0.0000 0.0000 952.1944 268.4619 313.0781 280.0932 282.7911 313.0781 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94300 TCL: Running for 0 steps PRESSURE: 94300 0 0 0 0 0 0 0 0 0 GPRESSURE: 94300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94300 224.9160 726.7717 388.9834 38.0513 -1801.9819 -289.1154 0.0000 0.0000 953.5543 241.1794 313.5252 252.6250 255.8506 313.5252 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94350 TCL: Running for 0 steps PRESSURE: 94350 0 0 0 0 0 0 0 0 0 GPRESSURE: 94350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94350 243.5535 672.9040 402.9289 38.8424 -1781.1368 -292.8379 0.0000 0.0000 946.6633 230.9175 311.2595 242.3626 245.3883 311.2595 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94400 TCL: Running for 0 steps PRESSURE: 94400 0 0 0 0 0 0 0 0 0 GPRESSURE: 94400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94400 248.8240 691.7962 413.4073 41.7405 -1812.3515 -313.5740 0.0000 0.0000 954.0370 223.8795 313.6839 235.3748 238.0233 313.6839 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94450 TCL: Running for 0 steps PRESSURE: 94450 0 0 0 0 0 0 0 0 0 GPRESSURE: 94450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94450 221.8679 726.5167 413.4560 36.2850 -1826.1020 -300.0336 0.0000 0.0000 952.9627 224.9528 313.3307 236.6599 238.3486 313.3307 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94500 TCL: Running for 0 steps PRESSURE: 94500 0 0 0 0 0 0 0 0 0 GPRESSURE: 94500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94500 243.2616 656.5583 397.5645 40.1694 -1806.4985 -302.3229 0.0000 0.0000 954.6259 183.3584 313.8776 194.2531 198.8827 313.8776 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94550 TCL: Running for 0 steps PRESSURE: 94550 0 0 0 0 0 0 0 0 0 GPRESSURE: 94550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94550 210.7336 705.3393 402.6774 40.4133 -1756.9207 -313.1491 0.0000 0.0000 952.7088 241.8026 313.2472 253.3249 255.3117 313.2472 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94600 TCL: Running for 0 steps PRESSURE: 94600 0 0 0 0 0 0 0 0 0 GPRESSURE: 94600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94600 234.5094 696.9917 388.2532 39.8238 -1751.5318 -301.5565 0.0000 0.0000 945.2643 251.7542 310.7995 263.8095 263.6735 310.7995 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94650 TCL: Running for 0 steps PRESSURE: 94650 0 0 0 0 0 0 0 0 0 GPRESSURE: 94650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94650 257.2760 677.6499 393.7632 40.5339 -1799.7137 -297.3873 0.0000 0.0000 944.1670 216.2890 310.4387 228.2167 228.5677 310.4387 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94700 TCL: Running for 0 steps PRESSURE: 94700 0 0 0 0 0 0 0 0 0 GPRESSURE: 94700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94700 235.3679 753.1884 390.1275 42.6914 -1797.2457 -300.4838 0.0000 0.0000 951.4488 275.0945 312.8329 287.5472 285.9074 312.8329 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94750 TCL: Running for 0 steps PRESSURE: 94750 0 0 0 0 0 0 0 0 0 GPRESSURE: 94750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94750 231.7481 692.1704 400.4362 49.8039 -1816.7825 -281.6182 0.0000 0.0000 947.4865 223.2443 311.5301 234.5468 237.3228 311.5301 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94800 TCL: Running for 0 steps PRESSURE: 94800 0 0 0 0 0 0 0 0 0 GPRESSURE: 94800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94800 237.8285 729.3106 396.9064 44.0010 -1786.7942 -314.5786 0.0000 0.0000 954.1804 260.8541 313.7311 272.5066 273.7966 313.7311 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94850 TCL: Running for 0 steps PRESSURE: 94850 0 0 0 0 0 0 0 0 0 GPRESSURE: 94850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94850 234.7323 731.4197 392.8669 48.2975 -1790.3152 -303.9101 0.0000 0.0000 950.3407 263.4320 312.4686 275.4225 275.3643 312.4686 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94900 TCL: Running for 0 steps PRESSURE: 94900 0 0 0 0 0 0 0 0 0 GPRESSURE: 94900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94900 236.2667 723.2707 388.2324 42.9030 -1795.0669 -309.5064 0.0000 0.0000 951.0028 237.1023 312.6863 249.6421 247.5280 312.6863 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 94950 TCL: Running for 0 steps PRESSURE: 94950 0 0 0 0 0 0 0 0 0 GPRESSURE: 94950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 94950 233.7465 723.5164 386.8312 46.9069 -1776.1730 -302.9787 0.0000 0.0000 957.2268 269.0760 314.7327 280.8245 281.8097 314.7327 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95000 TCL: Running for 0 steps PRESSURE: 95000 0 0 0 0 0 0 0 0 0 GPRESSURE: 95000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95000 237.3305 709.6584 390.1202 46.0353 -1758.3171 -298.2477 0.0000 0.0000 958.2298 284.8095 315.0625 297.1758 295.7824 315.0625 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95050 TCL: Running for 0 steps PRESSURE: 95050 0 0 0 0 0 0 0 0 0 GPRESSURE: 95050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95050 246.1473 695.7132 391.1590 41.0514 -1785.5664 -295.6203 0.0000 0.0000 949.9763 242.8605 312.3488 254.9834 254.5900 312.3488 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95100 TCL: Running for 0 steps PRESSURE: 95100 0 0 0 0 0 0 0 0 0 GPRESSURE: 95100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95100 226.6288 729.7374 397.4700 47.4139 -1802.3113 -288.7120 0.0000 0.0000 951.7690 261.9956 312.9382 274.1330 273.7099 312.9382 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95150 TCL: Running for 0 steps PRESSURE: 95150 0 0 0 0 0 0 0 0 0 GPRESSURE: 95150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95150 250.7942 696.8455 378.4489 42.0848 -1797.6257 -296.0604 0.0000 0.0000 952.3790 226.8663 313.1388 238.7288 239.3630 313.1388 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95200 TCL: Running for 0 steps PRESSURE: 95200 0 0 0 0 0 0 0 0 0 GPRESSURE: 95200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95200 222.9513 738.4574 387.7613 47.9943 -1800.3829 -276.5040 0.0000 0.0000 954.0690 274.3463 313.6944 287.0471 284.4981 313.6944 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95250 TCL: Running for 0 steps PRESSURE: 95250 0 0 0 0 0 0 0 0 0 GPRESSURE: 95250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95250 241.4997 704.8922 399.8143 41.1151 -1826.5026 -296.5197 0.0000 0.0000 957.2071 221.5061 314.7262 233.1070 234.8419 314.7262 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95300 TCL: Running for 0 steps PRESSURE: 95300 0 0 0 0 0 0 0 0 0 GPRESSURE: 95300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95300 248.9370 743.1730 390.7635 42.0609 -1822.6749 -292.8012 0.0000 0.0000 957.6447 267.1030 314.8701 279.5155 278.0984 314.8701 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95350 TCL: Running for 0 steps PRESSURE: 95350 0 0 0 0 0 0 0 0 0 GPRESSURE: 95350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95350 266.9128 748.3155 391.6920 36.8989 -1852.7047 -303.0657 0.0000 0.0000 959.5391 247.5879 315.4930 259.8995 258.9495 315.4930 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95400 TCL: Running for 0 steps PRESSURE: 95400 0 0 0 0 0 0 0 0 0 GPRESSURE: 95400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95400 236.2474 705.7418 396.9500 48.2212 -1829.5633 -286.9181 0.0000 0.0000 954.8037 225.4827 313.9360 237.4603 237.8220 313.9360 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95450 TCL: Running for 0 steps PRESSURE: 95450 0 0 0 0 0 0 0 0 0 GPRESSURE: 95450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95450 218.5471 714.1920 397.5264 41.7849 -1776.8330 -308.9816 0.0000 0.0000 956.8481 243.0839 314.6082 254.9870 255.6054 314.6082 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95500 TCL: Running for 0 steps PRESSURE: 95500 0 0 0 0 0 0 0 0 0 GPRESSURE: 95500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95500 239.2726 700.4818 387.9035 35.7242 -1795.2190 -294.8479 0.0000 0.0000 954.5649 227.8800 313.8575 240.2792 238.9988 313.8575 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95550 TCL: Running for 0 steps PRESSURE: 95550 0 0 0 0 0 0 0 0 0 GPRESSURE: 95550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95550 239.7410 747.5865 390.5003 39.6877 -1784.0377 -305.6066 0.0000 0.0000 958.0185 285.8898 314.9930 298.9216 295.3486 314.9930 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95600 TCL: Running for 0 steps PRESSURE: 95600 0 0 0 0 0 0 0 0 0 GPRESSURE: 95600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95600 256.3669 725.4219 388.9159 44.3463 -1806.7083 -309.5293 0.0000 0.0000 958.9373 257.7506 315.2951 269.8111 270.1042 315.2951 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95650 TCL: Running for 0 steps PRESSURE: 95650 0 0 0 0 0 0 0 0 0 GPRESSURE: 95650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95650 245.7443 713.3253 387.7023 44.3373 -1788.9930 -288.2768 0.0000 0.0000 956.2120 270.0513 314.3990 282.5337 281.2263 314.3990 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95700 TCL: Running for 0 steps PRESSURE: 95700 0 0 0 0 0 0 0 0 0 GPRESSURE: 95700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95700 243.6646 713.6561 396.9035 37.5488 -1830.4048 -289.4724 0.0000 0.0000 957.5957 229.4916 314.8540 241.3637 242.4264 314.8540 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95750 TCL: Running for 0 steps PRESSURE: 95750 0 0 0 0 0 0 0 0 0 GPRESSURE: 95750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95750 229.2953 759.2847 403.9349 36.5904 -1821.1900 -315.2917 0.0000 0.0000 963.2947 255.9183 316.7278 267.3272 270.0606 316.7278 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95800 TCL: Running for 0 steps PRESSURE: 95800 0 0 0 0 0 0 0 0 0 GPRESSURE: 95800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95800 249.2224 723.1593 382.5267 43.5661 -1815.7751 -288.0098 0.0000 0.0000 959.8291 254.5187 315.5883 266.9103 265.7879 315.5883 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95850 TCL: Running for 0 steps PRESSURE: 95850 0 0 0 0 0 0 0 0 0 GPRESSURE: 95850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95850 232.5524 729.1091 394.0296 53.7985 -1817.1063 -309.0447 0.0000 0.0000 963.2060 246.5446 316.6987 258.4081 259.3362 316.6987 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95900 TCL: Running for 0 steps PRESSURE: 95900 0 0 0 0 0 0 0 0 0 GPRESSURE: 95900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95900 252.3810 731.3683 408.2285 40.1229 -1800.5489 -303.9765 0.0000 0.0000 960.5035 288.0787 315.8101 300.2162 300.0588 315.8101 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 95950 TCL: Running for 0 steps PRESSURE: 95950 0 0 0 0 0 0 0 0 0 GPRESSURE: 95950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 95950 217.1076 692.9138 389.3407 44.1104 -1780.2215 -304.1777 0.0000 0.0000 961.5426 220.6158 316.1517 231.6506 235.6381 316.1517 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96000 TCL: Running for 0 steps PRESSURE: 96000 0 0 0 0 0 0 0 0 0 GPRESSURE: 96000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96000 214.1063 702.1455 391.1495 43.3191 -1827.9094 -293.8586 0.0000 0.0000 958.2189 187.1712 315.0589 198.6177 200.8122 315.0589 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96050 TCL: Running for 0 steps PRESSURE: 96050 0 0 0 0 0 0 0 0 0 GPRESSURE: 96050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96050 259.6976 709.6446 394.8818 39.5694 -1818.8629 -300.0504 0.0000 0.0000 953.6121 238.4922 313.5442 250.6655 249.9972 313.5442 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96100 TCL: Running for 0 steps PRESSURE: 96100 0 0 0 0 0 0 0 0 0 GPRESSURE: 96100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96100 240.4508 711.1946 383.7867 45.5699 -1809.5904 -304.0288 0.0000 0.0000 953.6803 221.0631 313.5667 233.0473 233.1298 313.5667 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96150 TCL: Running for 0 steps PRESSURE: 96150 0 0 0 0 0 0 0 0 0 GPRESSURE: 96150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96150 227.2995 691.3996 381.5842 42.0613 -1797.4017 -300.8835 0.0000 0.0000 958.3926 202.4521 315.1160 213.8842 216.0322 315.1160 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96200 TCL: Running for 0 steps PRESSURE: 96200 0 0 0 0 0 0 0 0 0 GPRESSURE: 96200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96200 236.1065 713.8626 396.8766 51.9015 -1802.4791 -319.3419 0.0000 0.0000 957.8431 234.7693 314.9354 247.0168 245.9726 314.9354 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96250 TCL: Running for 0 steps PRESSURE: 96250 0 0 0 0 0 0 0 0 0 GPRESSURE: 96250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96250 244.1606 720.3557 385.8801 38.2914 -1778.1524 -325.7178 0.0000 0.0000 948.0816 232.8993 311.7258 245.1542 244.1473 311.7258 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96300 TCL: Running for 0 steps PRESSURE: 96300 0 0 0 0 0 0 0 0 0 GPRESSURE: 96300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96300 231.2574 717.1242 391.5270 42.7640 -1808.8468 -301.5320 0.0000 0.0000 955.9362 228.2299 314.3084 240.4015 239.7703 314.3084 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96350 TCL: Running for 0 steps PRESSURE: 96350 0 0 0 0 0 0 0 0 0 GPRESSURE: 96350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96350 220.3396 700.7518 380.3602 39.2961 -1819.2172 -292.9302 0.0000 0.0000 960.8559 189.4563 315.9260 201.0573 202.6050 315.9260 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96400 TCL: Running for 0 steps PRESSURE: 96400 0 0 0 0 0 0 0 0 0 GPRESSURE: 96400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96400 249.9946 688.7718 382.2357 44.2409 -1809.0294 -303.5699 0.0000 0.0000 956.9469 209.5906 314.6407 221.6470 221.3903 314.6407 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96450 TCL: Running for 0 steps PRESSURE: 96450 0 0 0 0 0 0 0 0 0 GPRESSURE: 96450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96450 234.5580 683.9605 387.5735 40.9330 -1820.6173 -276.6418 0.0000 0.0000 955.1042 204.8702 314.0348 216.9469 216.6304 314.0348 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96500 TCL: Running for 0 steps PRESSURE: 96500 0 0 0 0 0 0 0 0 0 GPRESSURE: 96500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96500 208.3741 699.7185 387.1245 43.0168 -1778.1367 -282.7264 0.0000 0.0000 956.6032 233.9740 314.5277 245.5504 247.1295 314.5277 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96550 TCL: Running for 0 steps PRESSURE: 96550 0 0 0 0 0 0 0 0 0 GPRESSURE: 96550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96550 229.9315 729.3295 391.2515 41.2938 -1768.6509 -308.8108 0.0000 0.0000 947.4265 261.7710 311.5104 273.6460 274.0066 311.5104 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96600 TCL: Running for 0 steps PRESSURE: 96600 0 0 0 0 0 0 0 0 0 GPRESSURE: 96600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96600 221.2511 736.3927 399.5624 39.7717 -1777.1391 -312.1039 0.0000 0.0000 949.9142 257.6491 312.3284 269.5120 269.8956 312.3284 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96650 TCL: Running for 0 steps PRESSURE: 96650 0 0 0 0 0 0 0 0 0 GPRESSURE: 96650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96650 201.0230 714.4954 402.7179 46.0103 -1811.7947 -300.1025 0.0000 0.0000 954.5255 206.8748 313.8446 218.0986 220.8550 313.8446 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96700 TCL: Running for 0 steps PRESSURE: 96700 0 0 0 0 0 0 0 0 0 GPRESSURE: 96700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96700 224.2418 730.0182 382.2477 31.0897 -1816.3886 -280.8929 0.0000 0.0000 946.9054 217.2214 311.3391 228.5658 230.6975 311.3391 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96750 TCL: Running for 0 steps PRESSURE: 96750 0 0 0 0 0 0 0 0 0 GPRESSURE: 96750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96750 224.9686 679.0152 379.2058 38.7684 -1798.4867 -296.8375 0.0000 0.0000 956.1650 182.7989 314.3836 194.3327 195.6207 314.3836 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96800 TCL: Running for 0 steps PRESSURE: 96800 0 0 0 0 0 0 0 0 0 GPRESSURE: 96800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96800 253.9348 709.4042 388.7827 37.3766 -1799.1331 -291.3939 0.0000 0.0000 958.3738 257.3451 315.1099 269.5386 268.2724 315.1099 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96850 TCL: Running for 0 steps PRESSURE: 96850 0 0 0 0 0 0 0 0 0 GPRESSURE: 96850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96850 242.0159 724.2574 395.6263 44.6132 -1820.5115 -305.1375 0.0000 0.0000 949.9176 230.7815 312.3295 242.6389 242.7121 312.3295 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96900 TCL: Running for 0 steps PRESSURE: 96900 0 0 0 0 0 0 0 0 0 GPRESSURE: 96900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96900 255.3510 691.8403 381.6521 39.3401 -1784.8838 -313.2378 0.0000 0.0000 952.0514 222.1132 313.0311 233.9984 233.9630 313.0311 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 96950 TCL: Running for 0 steps PRESSURE: 96950 0 0 0 0 0 0 0 0 0 GPRESSURE: 96950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 96950 234.6153 719.7991 398.3186 47.4677 -1783.2904 -296.9117 0.0000 0.0000 958.1760 278.1747 315.0448 290.3662 289.1844 315.0448 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97000 TCL: Running for 0 steps PRESSURE: 97000 0 0 0 0 0 0 0 0 0 GPRESSURE: 97000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97000 232.9394 751.0979 380.1602 36.4315 -1818.2609 -273.6822 0.0000 0.0000 958.9545 267.6405 315.3008 280.0695 278.0707 315.3008 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97050 TCL: Running for 0 steps PRESSURE: 97050 0 0 0 0 0 0 0 0 0 GPRESSURE: 97050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97050 243.7483 691.5985 397.3803 41.7321 -1794.6376 -291.0993 0.0000 0.0000 958.8562 247.5785 315.2685 259.6065 259.2364 315.2685 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97100 TCL: Running for 0 steps PRESSURE: 97100 0 0 0 0 0 0 0 0 0 GPRESSURE: 97100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97100 226.7325 719.7352 395.3302 48.5383 -1781.8657 -308.0080 0.0000 0.0000 954.2462 254.7087 313.7527 266.7057 266.4751 313.7527 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97150 TCL: Running for 0 steps PRESSURE: 97150 0 0 0 0 0 0 0 0 0 GPRESSURE: 97150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97150 248.9275 706.7982 391.5349 43.7230 -1813.5581 -314.1762 0.0000 0.0000 951.0353 214.2846 312.6970 225.9471 226.9855 312.6970 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97200 TCL: Running for 0 steps PRESSURE: 97200 0 0 0 0 0 0 0 0 0 GPRESSURE: 97200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97200 235.9391 703.9899 378.4668 44.2252 -1806.7168 -303.3991 0.0000 0.0000 955.3056 207.8107 314.1010 219.2180 221.1484 314.1010 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97250 TCL: Running for 0 steps PRESSURE: 97250 0 0 0 0 0 0 0 0 0 GPRESSURE: 97250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97250 247.5163 702.2781 389.4255 42.6612 -1812.1397 -304.1564 0.0000 0.0000 949.7189 215.3037 312.2642 227.0198 227.6716 312.2642 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97300 TCL: Running for 0 steps PRESSURE: 97300 0 0 0 0 0 0 0 0 0 GPRESSURE: 97300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97300 232.1671 682.6746 389.6713 39.8462 -1810.6190 -304.8104 0.0000 0.0000 952.4225 181.3522 313.1531 192.3534 195.6452 313.1531 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97350 TCL: Running for 0 steps PRESSURE: 97350 0 0 0 0 0 0 0 0 0 GPRESSURE: 97350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97350 199.9238 694.2490 390.5526 48.9456 -1805.4324 -291.0125 0.0000 0.0000 960.6459 197.8719 315.8569 209.3226 210.7232 315.8569 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97400 TCL: Running for 0 steps PRESSURE: 97400 0 0 0 0 0 0 0 0 0 GPRESSURE: 97400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97400 263.3334 685.3021 395.9376 39.2098 -1811.9602 -315.5083 0.0000 0.0000 958.8206 215.1350 315.2568 226.6274 227.7839 315.2568 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97450 TCL: Running for 0 steps PRESSURE: 97450 0 0 0 0 0 0 0 0 0 GPRESSURE: 97450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97450 234.1367 693.4503 401.5697 47.1385 -1789.7191 -306.2330 0.0000 0.0000 954.7438 235.0868 313.9163 246.7001 247.3310 313.9163 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97500 TCL: Running for 0 steps PRESSURE: 97500 0 0 0 0 0 0 0 0 0 GPRESSURE: 97500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97500 239.9689 709.9185 402.0851 40.6842 -1832.9255 -295.6950 0.0000 0.0000 960.0136 224.0497 315.6490 235.3828 237.0250 315.6490 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97550 TCL: Running for 0 steps PRESSURE: 97550 0 0 0 0 0 0 0 0 0 GPRESSURE: 97550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97550 238.5927 729.6062 392.7865 38.3445 -1810.4937 -305.6468 0.0000 0.0000 958.3647 241.5540 315.1069 253.2702 253.3730 315.1069 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97600 TCL: Running for 0 steps PRESSURE: 97600 0 0 0 0 0 0 0 0 0 GPRESSURE: 97600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97600 243.6794 688.0996 390.0502 32.8384 -1772.9271 -302.4508 0.0000 0.0000 949.7424 229.0321 312.2719 240.7663 240.7953 312.2719 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97650 TCL: Running for 0 steps PRESSURE: 97650 0 0 0 0 0 0 0 0 0 GPRESSURE: 97650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97650 236.4161 698.1873 386.4834 36.8697 -1824.0141 -277.0657 0.0000 0.0000 948.2312 205.1080 311.7750 216.8719 216.7877 311.7750 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97700 TCL: Running for 0 steps PRESSURE: 97700 0 0 0 0 0 0 0 0 0 GPRESSURE: 97700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97700 246.3438 679.1200 380.8479 36.3431 -1833.7512 -280.2469 0.0000 0.0000 954.6355 183.2923 313.8807 194.9885 195.1633 313.8807 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97750 TCL: Running for 0 steps PRESSURE: 97750 0 0 0 0 0 0 0 0 0 GPRESSURE: 97750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97750 246.5296 695.9795 385.8491 35.9179 -1789.5622 -292.0849 0.0000 0.0000 952.5689 235.1979 313.2012 247.1994 246.2184 313.2012 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97800 TCL: Running for 0 steps PRESSURE: 97800 0 0 0 0 0 0 0 0 0 GPRESSURE: 97800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97800 216.2918 697.1311 383.0490 39.9261 -1812.7184 -259.2694 0.0000 0.0000 962.3696 226.7799 316.4236 238.4936 238.6530 316.4236 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97850 TCL: Running for 0 steps PRESSURE: 97850 0 0 0 0 0 0 0 0 0 GPRESSURE: 97850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97850 237.3249 740.4473 389.2478 46.6519 -1808.9250 -282.9649 0.0000 0.0000 960.8814 282.6634 315.9343 295.1005 292.5374 315.9343 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97900 TCL: Running for 0 steps PRESSURE: 97900 0 0 0 0 0 0 0 0 0 GPRESSURE: 97900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97900 228.2819 714.4946 391.9213 36.4754 -1794.3593 -284.7595 0.0000 0.0000 955.3799 247.4341 314.1255 259.2539 259.1659 314.1255 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 97950 TCL: Running for 0 steps PRESSURE: 97950 0 0 0 0 0 0 0 0 0 GPRESSURE: 97950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 97950 235.9374 757.8346 375.1941 40.8261 -1805.6921 -288.5531 0.0000 0.0000 954.3352 269.8823 313.7820 282.4436 279.5805 313.7820 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98000 TCL: Running for 0 steps PRESSURE: 98000 0 0 0 0 0 0 0 0 0 GPRESSURE: 98000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98000 269.2484 706.6775 381.4105 33.3098 -1785.5606 -306.5037 0.0000 0.0000 952.3650 250.9468 313.1342 263.2822 261.4453 313.1342 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98050 TCL: Running for 0 steps PRESSURE: 98050 0 0 0 0 0 0 0 0 0 GPRESSURE: 98050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98050 239.7281 714.0484 387.3637 38.7357 -1783.5231 -290.4733 0.0000 0.0000 953.6749 259.5545 313.5649 271.5147 271.1995 313.5649 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98100 TCL: Running for 0 steps PRESSURE: 98100 0 0 0 0 0 0 0 0 0 GPRESSURE: 98100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98100 238.9676 694.6037 382.0965 43.7373 -1790.2593 -294.5217 0.0000 0.0000 952.1715 226.7956 313.0705 238.5635 238.9889 313.0705 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98150 TCL: Running for 0 steps PRESSURE: 98150 0 0 0 0 0 0 0 0 0 GPRESSURE: 98150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98150 250.0588 699.0666 394.6372 48.6733 -1796.7338 -295.9892 0.0000 0.0000 957.3630 257.0760 314.7775 269.4887 267.4698 314.7775 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98200 TCL: Running for 0 steps PRESSURE: 98200 0 0 0 0 0 0 0 0 0 GPRESSURE: 98200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98200 242.0511 754.8579 376.9196 42.9967 -1801.3645 -309.8584 0.0000 0.0000 956.4485 262.0510 314.4768 274.5023 272.4648 314.4768 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98250 TCL: Running for 0 steps PRESSURE: 98250 0 0 0 0 0 0 0 0 0 GPRESSURE: 98250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98250 228.0680 690.1770 372.9435 38.2529 -1759.7531 -303.8707 0.0000 0.0000 957.8934 223.7111 314.9519 235.4421 236.2328 314.9519 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98300 TCL: Running for 0 steps PRESSURE: 98300 0 0 0 0 0 0 0 0 0 GPRESSURE: 98300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98300 240.6173 705.9366 377.4494 39.8293 -1768.6209 -296.1819 0.0000 0.0000 955.0026 254.0325 314.0014 265.6762 266.7449 314.0014 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98350 TCL: Running for 0 steps PRESSURE: 98350 0 0 0 0 0 0 0 0 0 GPRESSURE: 98350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98350 230.0524 713.6770 381.7980 44.2365 -1759.5260 -288.8933 0.0000 0.0000 957.6993 279.0439 314.8881 291.2743 290.0762 314.8881 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98400 TCL: Running for 0 steps PRESSURE: 98400 0 0 0 0 0 0 0 0 0 GPRESSURE: 98400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98400 238.8885 738.8544 383.1862 42.8642 -1777.3117 -305.0768 0.0000 0.0000 954.1900 275.5947 313.7342 287.8688 286.5818 313.7342 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98450 TCL: Running for 0 steps PRESSURE: 98450 0 0 0 0 0 0 0 0 0 GPRESSURE: 98450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98450 250.1341 727.1549 386.8543 45.7156 -1792.6336 -290.0465 0.0000 0.0000 953.3582 280.5370 313.4607 292.9132 291.3236 313.4607 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98500 TCL: Running for 0 steps PRESSURE: 98500 0 0 0 0 0 0 0 0 0 GPRESSURE: 98500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98500 231.8388 692.5428 390.2313 43.5679 -1737.9325 -292.3560 0.0000 0.0000 962.1491 290.0413 316.3512 301.9679 302.1639 316.3512 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98550 TCL: Running for 0 steps PRESSURE: 98550 0 0 0 0 0 0 0 0 0 GPRESSURE: 98550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98550 250.9800 696.0136 361.1198 36.8695 -1793.4014 -275.4701 0.0000 0.0000 956.3752 232.4866 314.4527 244.0256 245.6625 314.4527 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98600 TCL: Running for 0 steps PRESSURE: 98600 0 0 0 0 0 0 0 0 0 GPRESSURE: 98600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98600 257.1881 717.2694 378.0524 48.6633 -1803.7940 -272.2851 0.0000 0.0000 956.2902 281.3844 314.4248 293.8604 291.8813 314.4248 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98650 TCL: Running for 0 steps PRESSURE: 98650 0 0 0 0 0 0 0 0 0 GPRESSURE: 98650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98650 257.4522 713.1089 407.3786 37.8423 -1805.4546 -289.4071 0.0000 0.0000 955.9608 276.8810 314.3165 289.1898 287.9617 314.3165 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98700 TCL: Running for 0 steps PRESSURE: 98700 0 0 0 0 0 0 0 0 0 GPRESSURE: 98700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98700 224.9083 756.8570 380.8583 32.3892 -1813.1003 -292.1913 0.0000 0.0000 951.6001 241.3214 312.8827 253.2210 253.6038 312.8827 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98750 TCL: Running for 0 steps PRESSURE: 98750 0 0 0 0 0 0 0 0 0 GPRESSURE: 98750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98750 239.0252 736.3861 390.3094 42.6948 -1795.7170 -282.2454 0.0000 0.0000 952.6837 283.1367 313.2390 295.2019 294.9401 313.2390 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98800 TCL: Running for 0 steps PRESSURE: 98800 0 0 0 0 0 0 0 0 0 GPRESSURE: 98800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98800 236.3783 726.6290 371.0006 40.4937 -1783.7949 -299.0463 0.0000 0.0000 950.1935 241.8539 312.4202 253.7272 254.2014 312.4202 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98850 TCL: Running for 0 steps PRESSURE: 98850 0 0 0 0 0 0 0 0 0 GPRESSURE: 98850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98850 244.7926 727.4524 384.2677 40.1129 -1790.6074 -298.6984 0.0000 0.0000 953.2786 260.5985 313.4346 272.4085 273.0904 313.4346 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98900 TCL: Running for 0 steps PRESSURE: 98900 0 0 0 0 0 0 0 0 0 GPRESSURE: 98900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98900 248.1829 694.9970 372.5276 36.6099 -1763.1012 -293.2181 0.0000 0.0000 951.3813 247.3794 312.8108 259.1971 259.8077 312.8108 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 98950 TCL: Running for 0 steps PRESSURE: 98950 0 0 0 0 0 0 0 0 0 GPRESSURE: 98950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 98950 247.1488 703.8882 384.5786 41.2251 -1753.9856 -305.7229 0.0000 0.0000 950.6476 267.7797 312.5695 279.2905 281.0137 312.5695 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99000 TCL: Running for 0 steps PRESSURE: 99000 0 0 0 0 0 0 0 0 0 GPRESSURE: 99000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99000 229.5744 693.9502 382.0583 39.7371 -1782.0740 -285.1893 0.0000 0.0000 950.6974 228.7542 312.5859 240.3953 241.5219 312.5859 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99050 TCL: Running for 0 steps PRESSURE: 99050 0 0 0 0 0 0 0 0 0 GPRESSURE: 99050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99050 266.2211 725.3413 370.5210 43.5158 -1790.6739 -299.5139 0.0000 0.0000 953.9711 269.3824 313.6623 281.0229 282.0815 313.6623 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99100 TCL: Running for 0 steps PRESSURE: 99100 0 0 0 0 0 0 0 0 0 GPRESSURE: 99100 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99100 260.4718 715.1266 379.1888 37.5553 -1802.8495 -271.5926 0.0000 0.0000 950.3141 268.2145 312.4599 280.2209 279.8410 312.4599 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99150 TCL: Running for 0 steps PRESSURE: 99150 0 0 0 0 0 0 0 0 0 GPRESSURE: 99150 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99150 233.4845 712.8111 376.8396 49.5980 -1768.0412 -292.7410 0.0000 0.0000 961.1854 273.1363 316.0343 284.5856 286.3189 316.0343 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99200 TCL: Running for 0 steps PRESSURE: 99200 0 0 0 0 0 0 0 0 0 GPRESSURE: 99200 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99200 249.2201 753.5896 396.0514 42.6563 -1798.0944 -290.8735 0.0000 0.0000 953.5925 306.1420 313.5378 318.4013 316.9885 313.5378 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99250 TCL: Running for 0 steps PRESSURE: 99250 0 0 0 0 0 0 0 0 0 GPRESSURE: 99250 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99250 246.9810 687.1026 386.8152 40.8208 -1753.9156 -287.2525 0.0000 0.0000 955.5534 276.1048 314.1825 287.7146 288.8261 314.1825 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99300 TCL: Running for 0 steps PRESSURE: 99300 0 0 0 0 0 0 0 0 0 GPRESSURE: 99300 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99300 231.0363 739.6108 396.0222 43.2165 -1797.4802 -279.0270 0.0000 0.0000 956.5423 289.9209 314.5077 302.2007 300.7299 314.5077 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99350 TCL: Running for 0 steps PRESSURE: 99350 0 0 0 0 0 0 0 0 0 GPRESSURE: 99350 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99350 219.8309 756.2316 385.2221 46.1239 -1758.8216 -302.0124 0.0000 0.0000 951.8822 298.4568 312.9754 310.6763 309.5237 312.9754 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99400 TCL: Running for 0 steps PRESSURE: 99400 0 0 0 0 0 0 0 0 0 GPRESSURE: 99400 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99400 214.9551 709.0694 380.5080 42.3414 -1757.8982 -304.1195 0.0000 0.0000 947.2160 232.0721 311.4412 243.3096 245.9114 311.4412 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99450 TCL: Running for 0 steps PRESSURE: 99450 0 0 0 0 0 0 0 0 0 GPRESSURE: 99450 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99450 238.8523 721.4076 359.2828 36.5404 -1790.8836 -291.7642 0.0000 0.0000 952.9522 226.3875 313.3272 238.3848 237.9750 313.3272 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99500 TCL: Running for 0 steps PRESSURE: 99500 0 0 0 0 0 0 0 0 0 GPRESSURE: 99500 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99500 228.5480 727.6232 377.5643 44.4352 -1790.9637 -300.8966 0.0000 0.0000 946.4048 232.7152 311.1745 244.5336 244.8198 311.1745 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99550 TCL: Running for 0 steps PRESSURE: 99550 0 0 0 0 0 0 0 0 0 GPRESSURE: 99550 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99550 237.3614 695.1284 380.3098 46.2394 -1795.9585 -307.1073 0.0000 0.0000 948.9576 204.9308 312.0139 216.4416 217.8637 312.0139 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99600 TCL: Running for 0 steps PRESSURE: 99600 0 0 0 0 0 0 0 0 0 GPRESSURE: 99600 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99600 263.6267 725.2297 401.6689 38.3729 -1787.8399 -305.7459 0.0000 0.0000 951.3312 286.6436 312.7943 298.6986 297.9912 312.7943 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99650 TCL: Running for 0 steps PRESSURE: 99650 0 0 0 0 0 0 0 0 0 GPRESSURE: 99650 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99650 246.4487 710.8914 393.8139 41.6756 -1784.8554 -298.9589 0.0000 0.0000 951.1773 260.1925 312.7437 271.8572 272.6577 312.7437 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99700 TCL: Running for 0 steps PRESSURE: 99700 0 0 0 0 0 0 0 0 0 GPRESSURE: 99700 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99700 238.9639 745.9607 389.9000 38.6479 -1792.5724 -310.7106 0.0000 0.0000 957.8545 268.0439 314.9391 279.9687 279.7437 314.9391 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99750 TCL: Running for 0 steps PRESSURE: 99750 0 0 0 0 0 0 0 0 0 GPRESSURE: 99750 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99750 241.8688 724.4568 396.3976 43.2761 -1805.8648 -294.4206 0.0000 0.0000 955.3644 261.0784 314.1204 273.4103 271.6727 314.1204 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99800 TCL: Running for 0 steps PRESSURE: 99800 0 0 0 0 0 0 0 0 0 GPRESSURE: 99800 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99800 235.8344 725.4719 401.5681 35.8785 -1775.4820 -315.0501 0.0000 0.0000 945.4150 253.6358 310.8491 265.6156 265.3068 310.8491 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99850 TCL: Running for 0 steps PRESSURE: 99850 0 0 0 0 0 0 0 0 0 GPRESSURE: 99850 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99850 231.4918 758.9756 385.3640 40.9318 -1847.5922 -283.8007 0.0000 0.0000 942.8999 228.2703 310.0221 240.5390 239.1660 310.0221 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99900 TCL: Running for 0 steps PRESSURE: 99900 0 0 0 0 0 0 0 0 0 GPRESSURE: 99900 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99900 227.6028 686.2720 374.1282 43.9922 -1803.3689 -290.5842 0.0000 0.0000 948.5436 186.5856 311.8777 197.6262 200.9446 311.8777 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 99950 TCL: Running for 0 steps PRESSURE: 99950 0 0 0 0 0 0 0 0 0 GPRESSURE: 99950 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 99950 220.6566 710.5272 382.9796 38.9400 -1792.3274 -291.2211 0.0000 0.0000 948.8794 218.4342 311.9881 230.0449 231.0179 311.9881 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 100000 TCL: Running for 0 steps PRESSURE: 100000 0 0 0 0 0 0 0 0 0 GPRESSURE: 100000 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 100000 232.1481 724.5780 396.3961 42.4142 -1844.9532 -297.0716 0.0000 0.0000 945.5169 199.0287 310.8826 211.0895 210.3138 310.8826 Info: Reading timestep from file. Info: REMOVING COM VELOCITY 0.0717296 0.068114 -0.229823 TCL: Setting parameter firsttimestep to 100050 TCL: Running for 0 steps PRESSURE: 100050 0 0 0 0 0 0 0 0 0 GPRESSURE: 100050 0 0 0 0 0 0 0 0 0 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG ENERGY: 100050 239.7802 719.1052 372.7375 38.7556 -1836.9789 -275.1524 0.0000 0.0000 954.8426 213.0898 313.9488 224.7058 225.6467 313.9488 Info: Closing coordinate file. WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 100050 WRITING COORDINATES TO OUTPUT FILE AT STEP 100050 WRITING VELOCITIES TO OUTPUT FILE AT STEP 100050 ========================================== WallClock: 66.166505 CPUTime: 17.030000 Memory: 6588 kB